ChemSpider 2D Image | (2,6-Difluorophenyl)[(4S,4aS,8aS)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone | C22H23F2NO2

(2,6-Difluorophenyl)[(4S,4aS,8aS)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone

  • Molecular FormulaC22H23F2NO2
  • Average mass371.420 Da
  • Monoisotopic mass371.169678 Da
  • ChemSpider ID29724519

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2,6-Difluorophényl)[(4S,4aS,8aS)-4-hydroxy-4-phényloctahydro-1(2H)-quinoléinyl]méthanone [French] [ACD/IUPAC Name]
(2,6-Difluorophenyl)[(4S,4aS,8aS)-4-hydroxy-4-phenyloctahydro-1(2H)-quinolinyl]methanone [ACD/IUPAC Name]
(2,6-Difluorphenyl)[(4S,4aS,8aS)-4-hydroxy-4-phenyloctahydro-1(2H)-chinolinyl]methanon [German] [ACD/IUPAC Name]
Methanone, (2,6-difluorophenyl)[(4S,4aS,8aS)-octahydro-4-hydroxy-4-phenyl-1(2H)-quinolinyl]- [ACD/Index Name]
(4S*,4aS*,8aS*)-1-(2,6-difluorobenzoyl)-4-phenyldecahydro-4-quinolinol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 199.66
ACD/KOC (pH 5.5): 1542.24
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.66
ACD/KOC (pH 7.4): 1542.24
Polar Surface Area: 41 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Click to predict properties on the Chemicalize site


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