ChemSpider 2D Image | 1-[(1R,2R)-2-Fluorocyclohexyl]-1,4-diazepane | C11H21FN2

1-[(1R,2R)-2-Fluorocyclohexyl]-1,4-diazepane

  • Molecular FormulaC11H21FN2
  • Average mass200.296 Da
  • Monoisotopic mass200.168884 Da
  • ChemSpider ID58217764

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R,2R)-2-Fluorcyclohexyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1-[(1R,2R)-2-Fluorocyclohexyl]-1,4-diazepane [ACD/IUPAC Name]
1-[(1R,2R)-2-Fluorocyclohexyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(1R,2R)-2-fluorocyclohexyl]hexahydro- [ACD/Index Name]
2166255-72-5 [RN]
MFCD30493313

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 280.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.9±3.0 kJ/mol
    Flash Point: 123.2±27.3 °C
    Index of Refraction: 1.495
    Molar Refractivity: 56.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): -2.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 15 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 35.1±5.0 dyne/cm
    Molar Volume: 193.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement