ChemSpider 2D Image | PF-00446687 | C28H36F2N2O2

PF-00446687

  • Molecular FormulaC28H36F2N2O2
  • Average mass470.594 Da
  • Monoisotopic mass470.274475 Da
  • ChemSpider ID24669573
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3R,4R,5S)-1-([(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl)-3,5-dimethyl-4-phenylpiperidin-4-ol
[(3S,4R)-4-(2,4-Difluorophenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl][(3R,4R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]methanone [ACD/IUPAC Name]
[(3S,4R)-4-(2,4-Difluorophényl)-1-(2-méthyl-2-propanyl)-3-pyrrolidinyl][(3R,4R,5S)-4-hydroxy-3,5-diméthyl-4-phényl-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[(3S,4R)-4-(2,4-Difluorphenyl)-1-(2-methyl-2-propanyl)-3-pyrrolidinyl][(3R,4R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl][(3α,4α,5α)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]- [ACD/Index Name]
PF-00446687 [Wiki]
862281-92-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 2.08
ACD/KOC (pH 5.5): 8.92
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 63.87
ACD/KOC (pH 7.4): 273.63
Polar Surface Area: 44 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 403.0±3.0 cm3

Click to predict properties on the Chemicalize site





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