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trifluperidol

Molecular FormulaC₂₂H₂₃F₄NO₂
Average mass409.417 Da
Monoisotopic mass409.166504 Da
ChemSpider ID5366

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(3'-p-Fluorobenzoylpropyl)-4-hydroxy-4-(3''-trifluoromethylphenyl)piperidine

1-(4-Fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-1-butanone

1-(4-Fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]

1-(4-Fluorophényl)-4-{4-hydroxy-4-[3-(trifluorométhyl)phényl]-1-pipéridinyl}-1-butanone [French] [ACD/IUPAC Name]

1-(4-Fluorophenyl)-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one

1-(4-Fluorphenyl)-4-{4-hydroxy-4-[3-(trifluormethyl)phenyl]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]

1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-

1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]- [ACD/Index Name]

4'-Fluoro-4-[4-hydroxy-4-(a,a,a-trifluoro-m-tolyl)piperidino]butyrophenone

749-13-3 [RN]

More...

Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino)-

p-Fluoro-4-[4'-hydroxy-4'-(3''-trifluoromethyl)phenyl]piperidinobutyrophenone

R8869Q7R8I

trifluperidol [INN] [USAN] [Wiki]

trifluperidol [Spanish] [INN]

triflupéridol [French] [INN]

trifluperidolum [Latin] [INN]

w-[4-Hydroxy-4-(m-trifluoromethylphenyl)piperidino]-p-fluorobutyrophenone

трифлуперидол [Russian] [INN]

ثلاثي فلوبيريدول [Arabic] [INN]

三氟哌多 [Chinese] [INN]

{4'-Fluoro-4-[4-hydroxy-4-(α,α,} α-trifluoro-m-tolyl)piperidino]butyrophenone

1-(4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)butan-1-one

1-(4-Fluorophenyl)-4-(4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl)-1-butanone

1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-butan-1-one

1-(4-Fluoro-phenyl)-4-[4-hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-butan-1-one (trifluperidol)

1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]butan-1-one

1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one

1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one

1-Butanone, {1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-pi} peridinyl]-

1-Butanone, 1- (4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-pi peridinyl]-

1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-pi peridyl]-, monohydrochloride

1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-

4'-Fluoro-4-(4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino)butyrophenone

4-Fluoro-4,4-idrossi-4-(m-trifluorometil-fenil)-piperidino-butirrofenone [Italian]

4-Fluoro-4,4-idrossi-4-(m-trifluorometil-fenil)-piperidino-butirrofenone

4-Fluoro-4,4-idrossi-4-(m-trifluorometil-fenil)-piperidino-butirrofenone [Italian]

4'-Fluoro-4-[4-hydroxy-4-(α,α, α-trifluoro-m-tolyl)piperidino]butyrophenone

4'-Fluoro-4-[4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino]butyrophenone

5-21-02-00406 (Beilstein Handbook Reference) [Beilstein]

Butyrophenone, {4'-fluoro-4-[4-hydroxy-4-(α,α,} α-trifluoro-m-tolyl)piperidino]-

BUTYROPHENONE, 4'-FLUORO-4-(4-HYDROXY-4-(α,α,α-TRIFLUORO-m-TOLYL)PIP

Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino)-

Butyrophenone, 4'-fluoro-4-[4-hydroxy-4- (α,α, α-trifluoro-m-tolyl)piperidino]-

Butyrophenone, 4'-fluoro-4-[4-hydroxy-4-(α,α,α-trifluoro-m-tolyl)piperidino]-

Flumoperone

Lopac0_001243

McN-JR-2498

Psicoperidol

Psicoperidol-R

Psychoperidol

triflupéridol

Trifluperidol (USAN/INN)

Trifluperidolo [Italian]

Trifluperidolo [DCIT]

Trifluperidolo [Italian]

trifluperidolum

Triperidol [Trade name]

Triperidol (TN)

Trisedil

Trisedyl

UNII:R8869Q7R8I

UNII-R8869Q7R8I

WLN: T6NTJ A3VR DF& DQ DR CXFFF

ψCoperidol

ψCoperidol-R

трифлуперидол

ثلاثي فلوبيريدول

三氟哌多

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1604 [DBID]

R 2498 [DBID]

AIDS127578 [DBID]

AIDS-127578 [DBID]

BRN 1556208 [DBID]

D02625 [DBID]

Lopac-T-103 [DBID]

NCGC00015983-01 [DBID]

NSC 170978 [DBID]

NSC169875 [DBID]

More...

Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon

Gas Chromatography

Retention Index (Kovats):

Retention Index (Normal Alkane):

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.3±0.1 g/cm³
Boiling Point:	515.9±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization:	83.0±3.0 kJ/mol
Flash Point:	265.8±30.1 °C
Index of Refraction:	1.535
Molar Refractivity:	101.1±0.3 cm³
#H bond acceptors:	3
#H bond donors:	1
#Freely Rotating Bonds:	7
#Rule of 5 Violations:	0

ACD/LogP:	2.99
ACD/LogD (pH 5.5):	1.21
ACD/BCF (pH 5.5):	1.30
ACD/KOC (pH 5.5):	8.69
ACD/LogD (pH 7.4):	2.92
ACD/BCF (pH 7.4):	66.36
ACD/KOC (pH 7.4):	443.66
Polar Surface Area:	41 Å²
Polarizability:	40.1±0.5 10^-24cm³
Surface Tension:	41.2±3.0 dyne/cm
Molar Volume:	324.8±3.0 cm³

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.52

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  445.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  187.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.61E-011  (Modified Grain method)
    MP  (exp database):  212 deg C
    Subcooled liquid VP: 8.37E-009 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.776
       log Kow used: 4.52 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11.679 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines
       Benzyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.65E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.228E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.52  (KowWin est)
  Log Kaw used:  -10.965  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.485
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.1601
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8851  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.5324  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0430
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.1304
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.12E-006 Pa (8.37E-009 mm Hg)
  Log Koa (Koawin est  ): 15.485
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.69 
       Octanol/air (Koa) model:  750 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.99 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  49.1417 E-12 cm3/molecule-sec
      Half-Life =     0.218 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.612 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.993 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.664E+004
      Log Koc:  4.753 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.939 (BCF = 86.88)
       log Kow used: 4.52 (estimated)

 Volatilization from Water:
    Henry LC:  2.65E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.471E+009  hours   (1.863E+008 days)
    Half-Life from Model Lake : 4.877E+010  hours   (2.032E+009 days)

 Removal In Wastewater Treatment:
    Total removal:              57.08  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    56.55  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00011         5.22         1000       
   Water     3.56            4.32e+003    1000       
   Soil      90.8            8.64e+003    1000       
   Sediment  5.69            3.89e+004    0          
     Persistence Time: 8.59e+003 hr

Click to predict properties on the Chemicalize site

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trifluperidol

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Retention Index (Normal Alkane):

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