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

2-(2,4-Difluorophenoxy)-1-[(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]ethanone

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID68161349

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(2,4-Difluorophénoxy)-1-[(4S,4aS,8aR)-4-hydroxy-4-phényloctahydro-1(2H)-quinoléinyl]éthanone [French] [ACD/IUPAC Name]
2-(2,4-Difluorophenoxy)-1-[(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]ethanone [ACD/IUPAC Name]
2-(2,4-Difluorphenoxy)-1-[(4S,4aS,8aR)-4-hydroxy-4-phenyloctahydro-1(2H)-chinolinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(2,4-difluorophenoxy)-1-[(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: 1.3±0.1 g/cm3
Boiling Point: 587.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 546.57
ACD/KOC (pH 5.5): 3171.10
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 546.57
ACD/KOC (pH 7.4): 3171.09
Polar Surface Area: 50 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 317.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement