ChemSpider 2D Image | [1-(2-Fluorophenyl)cyclopropyl][(3aR,6R,7aS)-6-hydroxy-3a-methoxyoctahydro-1H-indol-1-yl]methanone | C19H24FNO3

[1-(2-Fluorophenyl)cyclopropyl][(3aR,6R,7aS)-6-hydroxy-3a-methoxyoctahydro-1H-indol-1-yl]methanone

  • Molecular FormulaC19H24FNO3
  • Average mass333.397 Da
  • Monoisotopic mass333.174011 Da
  • ChemSpider ID52580477

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[1-(2-Fluorophenyl)cyclopropyl][(3aR,6R,7aS)-6-hydroxy-3a-methoxyoctahydro-1H-indol-1-yl]methanone [ACD/IUPAC Name]
[1-(2-Fluorophényl)cyclopropyl][(3aR,6R,7aS)-6-hydroxy-3a-méthoxyoctahydro-1H-indol-1-yl]méthanone [French] [ACD/IUPAC Name]
[1-(2-Fluorphenyl)cyclopropyl][(3aR,6R,7aS)-6-hydroxy-3a-methoxyoctahydro-1H-indol-1-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [1-(2-fluorophenyl)cyclopropyl][(3aR,6R,7aS)-octahydro-6-hydroxy-3a-methoxy-1H-indol-1-yl]- [ACD/Index Name]
rac-(3aR,6R,7aS)-1-{[1-(2-fluorophenyl)cyclopropyl]carbonyl}-3a-methoxyoctahydro-1H-indol-6-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.86
ACD/KOC (pH 5.5): 386.29
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.86
ACD/KOC (pH 7.4): 386.29
Polar Surface Area: 50 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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