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Penfluridol

Molecular FormulaC₂₈H₂₇ClF₅NO
Average mass523.965 Da
Monoisotopic mass523.170105 Da
ChemSpider ID31017

More details:

Featured data source

Names and Synonyms
Database ID(s)

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

1-(4,4-Bis(4-fluorophenyl)butyl)-4-hydroxy-4-(3-trifluoromethyl-4-chlorophenyl)piperidine

1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3(trifluoromethyl)phenyl]-4-piperidinol

1-[4,4-Bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol [ACD/IUPAC Name]

1-[4,4-Bis(4-fluorophényl)butyl]-4-[4-chloro-3-(trifluorométhyl)phényl]-4-pipéridinol [French] [ACD/IUPAC Name]

1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[4,4-Bis(4-fluorphenyl)butyl]-4-[4-chlor-3-(trifluormethyl)phenyl]-4-piperidinol [German] [ACD/IUPAC Name]

1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-a,a,a-trifluoro-m-tolyl)-4-piperidinol

248-074-5 [EINECS]

25TLU22Q8H

26864-56-2 [RN]

More...

4-Piperidinol, 1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-

4-Piperidinol, 1-[4,4-bis(4-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]- [ACD/Index Name]

Longoperidol [Trade name]

mcn-jr 16341

MFCD00866714 [MDL number]

Micefal [Trade name]

Penfluridol [BAN] [INN] [USAN] [Wiki]

Penfluridolum [Latin]

R16341

Semap [Trade name]

TN6957000

[26864-56-2] [RN]

1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3(TRIFLUOROMETHYL)phenyl)-4-piperidinol

1-(4,4-bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-ol

1-(4,4-Bis(p-fluorophenyl)butyl)-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-4-piperidinol

1-[4,4-Bis-(4-fluoro-phenyl)-butyl]-4-(4-chloro-3-trifluoromethyl-phenyl)-piperidin-4-ol

1-[4,4-Bis(p-fluorophenyl)butyl]-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-4-piperidinol

1-[4,4-Bis(p-flurophenyl)butyl]-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-4-piperidinol

4-Piperidinol, 1-(4,4-bis(p-fluorophenyl)butyl)-4-(4-chloro-α,α,α-trifluoro-m-tolyl)-

4-Piperidinol, 4-(4-chloro-α,α,α-trifluoro-m-tolyl)-1-(4,4-bis(p-fluorophenyl)butyl)-

5-21-02-00409 [Beilstein]

5-21-02-00409 (Beilstein Handbook Reference) [Beilstein]

BR-73104

CHEMBL47050

EINECS 248-074-5

KS-5104

McN-JR-16,341

NCGC00165865-01

PDSP1_000470

PDSP2_000468

Penfluridol (USAN)

Penfluridol (USAN/INN)

Penfluridol [USAN:BAN:INN] [INN] [USAN]

Penfluridolum [INN-Latin]

Pharmakon1600-01505691

pTLP-607

QA-0287

R-16341

R-16341;Semap

Sema

Semap (TN)

UNII:25TLU22Q8H

UNII-25TLU22Q8H

Less...

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

2919 [DBID]

TLP 607 [DBID]

BRN 1558826 [DBID]

D02630 [DBID]

R 16341 [DBID]

TLP-607 [DBID]

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

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  106 °C Jean-Claude Bradley Open Melting Point Dataset 17387
  
  106 °C Parchem – fine & specialty chemicals 68877
- Experimental Solubility:
  
  10 mM in DMSO MedChem Express http://www.medchemexpress.com/Cefazolin-sodium.html, HY-B1077

Miscellaneous

Target Organs:

Dopamine Receptor antagonist TargetMol T1105

Bio Activity:

Gas Chromatography

Retention Index (Kovats):

3275 (estimated with error: 89) NIST Spectra mainlib_379158, replib_248697, replib_120889

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:	587.7±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization:	92.3±3.0 kJ/mol
Flash Point:	309.2±30.1 °C
Index of Refraction:	1.553
Molar Refractivity:	129.9±0.3 cm³
#H bond acceptors:	2
#H bond donors:	1
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	2

ACD/LogP:	6.01
ACD/LogD (pH 5.5):	3.58
ACD/BCF (pH 5.5):	74.33
ACD/KOC (pH 5.5):	139.15
ACD/LogD (pH 7.4):	5.27
ACD/BCF (pH 7.4):	3592.44
ACD/KOC (pH 7.4):	6725.21
Polar Surface Area:	23 Å²
Polarizability:	51.5±0.5 10^-24cm³
Surface Tension:	42.0±3.0 dyne/cm
Molar Volume:	406.1±3.0 cm³

Click to predict properties on the Chemicalize site

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Penfluridol

More details:

Experimental Melting Point:

Experimental Solubility:

Target Organs:

Bio Activity:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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