ChemSpider 2D Image | (3S,3aR,8aS)-1-Benzyl-3-(4-fluorophenyl)decahydrocyclohepta[b]pyrrol-4-ol | C22H26FNO

(3S,3aR,8aS)-1-Benzyl-3-(4-fluorophenyl)decahydrocyclohepta[b]pyrrol-4-ol

  • Molecular FormulaC22H26FNO
  • Average mass339.446 Da
  • Monoisotopic mass339.199829 Da
  • ChemSpider ID32797372

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,3aR,8aS)-1-Benzyl-3-(4-fluorophenyl)decahydrocyclohepta[b]pyrrol-4-ol [ACD/IUPAC Name]
(3S,3aR,8aS)-1-Benzyl-3-(4-fluorophényl)décahydrocyclohepta[b]pyrrol-4-ol [French] [ACD/IUPAC Name]
(3S,3aR,8aS)-1-Benzyl-3-(4-fluorphenyl)decahydrocyclohepta[b]pyrrol-4-ol [German] [ACD/IUPAC Name]
Cyclohepta[b]pyrrol-4-ol, 3-(4-fluorophenyl)decahydro-1-(phenylmethyl)-, (3S,3aR,8aS)- [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: 473.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 240.4±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 22.65
ACD/KOC (pH 7.4): 140.28
Polar Surface Area: 23 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 293.2±3.0 cm3

Click to predict properties on the Chemicalize site


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