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

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

  • Molecular FormulaC22H26FNO
  • Average mass339.446 Da
  • Monoisotopic mass339.199829 Da
  • ChemSpider ID32797388

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,3aR,8aR)-1-Benzyl-3-(3-fluorophenyl)decahydrocyclohepta[b]pyrrol-4-ol [ACD/IUPAC Name]
(3S,3aR,8aR)-1-Benzyl-3-(3-fluorophényl)décahydrocyclohepta[b]pyrrol-4-ol [French] [ACD/IUPAC Name]
(3S,3aR,8aR)-1-Benzyl-3-(3-fluorphenyl)decahydrocyclohepta[b]pyrrol-4-ol [German] [ACD/IUPAC Name]
Cyclohepta[b]pyrrol-4-ol, 3-(3-fluorophenyl)decahydro-1-(phenylmethyl)-, (3S,3aR,8aR)- [ACD/Index Name]
(3S,3aR)-1-benzyl-3-(3-fluorophenyl)-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrol-4-ol

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 471.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 239.0±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): 1.01
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.62
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 30.05
    ACD/KOC (pH 7.4): 186.15
    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


    Advertisement