ChemSpider 2D Image | tert-Butyl 3-fluoro-4-hydroxyazepane-1-carboxylate | C11H20FNO3

tert-Butyl 3-fluoro-4-hydroxyazepane-1-carboxylate

  • Molecular FormulaC11H20FNO3
  • Average mass233.280 Da
  • Monoisotopic mass233.142715 Da
  • ChemSpider ID57422891

More details:

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

1209780-39-1 [RN]
1H-Azepine-1-carboxylic acid, 3-fluorohexahydro-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-fluoro-4-hydroxy-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-fluor-4-hydroxy-1-azepancarboxylat [German] [ACD/IUPAC Name]
3-Fluoro-4-hydroxy-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-fluoro-4-hydroxyazepane-1-carboxylate
Chemistry 217
MFCD27997419

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 318.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 65.0±6.0 kJ/mol
    Flash Point: 146.6±27.9 °C
    Index of Refraction: 1.478
    Molar Refractivity: 58.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.72
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.56
    ACD/KOC (pH 5.5): 86.43
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.56
    ACD/KOC (pH 7.4): 86.43
    Polar Surface Area: 50 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 38.0±5.0 dyne/cm
    Molar Volume: 205.9±5.0 cm3

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