ChemSpider 2D Image | (4S,4aS,8aS)-1-[4-(4-Fluorophenyl)-4-oxobutyl]decahydro-4-quinolinyl carbamate | C20H27FN2O3

(4S,4aS,8aS)-1-[4-(4-Fluorophenyl)-4-oxobutyl]decahydro-4-quinolinyl carbamate

  • Molecular FormulaC20H27FN2O3
  • Average mass362.438 Da
  • Monoisotopic mass362.200562 Da
  • ChemSpider ID32809671

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,4aS,8aS)-1-[4-(4-Fluorophenyl)-4-oxobutyl]decahydro-4-quinolinyl carbamate [ACD/IUPAC Name]
(4S,4aS,8aS)-1-[4-(4-Fluorphenyl)-4-oxobutyl]decahydro-4-chinolinylcarbamat [German] [ACD/IUPAC Name]
1-Butanone, 4-[(4S,4aS,8aS)-4-[(aminocarbonyl)oxy]octahydro-1(2H)-quinolinyl]-1-(4-fluorophenyl)- [ACD/Index Name]
Carbamate de (4S,4aS,8aS)-1-[4-(4-fluorophényl)-4-oxobutyl]décahydro-4-quinoléinyle [French] [ACD/IUPAC 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: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.29
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 123.74
Polar Surface Area: 73 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 298.1±5.0 cm3

Click to predict properties on the Chemicalize site


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