ChemSpider 2D Image | Penfluridol | C28H27ClF5NO

Penfluridol

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

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Featured data source



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 [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]
2919
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TLP 607 [DBID]
BRN 1558826 [DBID]
D02630 [DBID]
R 16341 [DBID]
TLP-607 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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