ChemSpider 2D Image | 6-Fluoro-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-oxazepane-2-carboxylic acid | C11H18FNO5

6-Fluoro-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-oxazepane-2-carboxylic acid

  • Molecular FormulaC11H18FNO5
  • Average mass263.263 Da
  • Monoisotopic mass263.116913 Da
  • ChemSpider ID68009102

More details:

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

1,4-Oxazepine-2,4(5H)-dicarboxylic acid, 6-fluorotetrahydro-, 4-(1,1-dimethylethyl) ester [ACD/Index Name]
6-Fluor-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-oxazepan-2-carbonsäure [German] [ACD/IUPAC Name]
6-Fluoro-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,4-oxazepane-2-carboxylic acid [ACD/IUPAC Name]
Acide 6-fluoro-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,4-oxazépane-2-carboxylique [French] [ACD/IUPAC Name]
4-(tert-butoxycarbonyl)-6-fluoro-1,4-oxazepane-2-carboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 387.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±6.0 kJ/mol
    Flash Point: 188.0±27.9 °C
    Index of Refraction: 1.487
    Molar Refractivity: 60.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): -1.99
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 43.4±5.0 dyne/cm
    Molar Volume: 209.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement