ChemSpider 2D Image | 1-[4,4-Bis(3-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol | C28H27ClF5NO

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

  • Molecular FormulaC28H27ClF5NO
  • Average mass523.965 Da
  • Monoisotopic mass523.170105 Da
  • ChemSpider ID21513382

More details:

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

1-[4,4-Bis(3-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperidinol [ACD/IUPAC Name]
1-[4,4-Bis(3-fluorophényl)butyl]-4-[4-chloro-3-(trifluorométhyl)phényl]-4-pipéridinol [French] [ACD/IUPAC Name]
1-[4,4-Bis(3-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
1-[4,4-Bis(3-fluorphenyl)butyl]-4-[4-chlor-3-(trifluormethyl)phenyl]-4-piperidinol [German] [ACD/IUPAC Name]
4-Piperidinol, 1-[4,4-bis(3-fluorophenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.2±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): 3.60
ACD/BCF (pH 5.5): 77.84
ACD/KOC (pH 5.5): 145.73
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 3806.52
ACD/KOC (pH 7.4): 7125.99
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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