ChemSpider 2D Image | [2-(Difluoromethoxy)phenyl][(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone | C23H25F2NO3

[2-(Difluoromethoxy)phenyl][(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID68162408

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[2-(Difluormethoxy)phenyl][(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-chinolinyl]methanon [German] [ACD/IUPAC Name]
[2-(Difluorométhoxy)phényl][(4S,4aS,8aR)-4-hydroxy-4-phényloctahydro-1(2H)-quinoléinyl]méthanone [French] [ACD/IUPAC Name]
[2-(Difluoromethoxy)phenyl][(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone [ACD/IUPAC Name]
Methanone, [2-(difluoromethoxy)phenyl][(4S,4aS,8aR)-octahydro-4-hydroxy-4-phenyl-1(2H)-quinolinyl]- [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: 561.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 488.80
ACD/KOC (pH 5.5): 2927.39
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 488.80
ACD/KOC (pH 7.4): 2927.39
Polar Surface Area: 50 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement