ChemSpider 2D Image | [(3S,4R)-4-(2,4-Difluorophenyl)-1-isopropyl-3-pyrrolidinyl][(3R,4R,5S)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]methanone | C27H33F3N2O2

[(3S,4R)-4-(2,4-Difluorophenyl)-1-isopropyl-3-pyrrolidinyl][(3R,4R,5S)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]methanone

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID24670158

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(3S,4R)-4-(2,4-Difluorophenyl)-1-isopropyl-3-pyrrolidinyl][(3R,4R,5S)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]methanone [ACD/IUPAC Name]
[(3S,4R)-4-(2,4-Difluorophényl)-1-isopropyl-3-pyrrolidinyl][(3R,4R,5S)-4-(4-fluorophényl)-4-hydroxy-3,5-diméthyl-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[(3S,4R)-4-(2,4-Difluorphenyl)-1-isopropyl-3-pyrrolidinyl][(3R,4R,5S)-4-(4-fluorphenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [(3S,4R)-4-(2,4-difluorophenyl)-1-(1-methylethyl)-3-pyrrolidinyl][(3α,4α,5α)-4-(4-fluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 5.46
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 34.08
ACD/KOC (pH 7.4): 182.21
Polar Surface Area: 44 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 393.1±3.0 cm3

Click to predict properties on the Chemicalize site


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