ChemSpider 2D Image | Benzyl 3,3-difluoro-1-azetidinecarboxylate | C11H11F2NO2

Benzyl 3,3-difluoro-1-azetidinecarboxylate

  • Molecular FormulaC11H11F2NO2
  • Average mass227.207 Da
  • Monoisotopic mass227.075790 Da
  • ChemSpider ID26528323

More details:

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

1255666-58-0 [RN]
1-Azetidinecarboxylic acid, 3,3-difluoro-, phenylmethyl ester [ACD/Index Name]
3,3-Difluoro-1-azétidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3,3-difluoro-1-azetidinecarboxylate [ACD/IUPAC Name]
benzyl 3,3-difluoroazetidine-1-carboxylate
Benzyl-3,3-difluor-1-azetidincarboxylat [German] [ACD/IUPAC Name]
benzyl-3,3-difluoroazetidine-1-carboxylate
Benzyl3,3-difluoroazetidine-1-carboxylate
MFCD18433533 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 303.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.4±3.0 kJ/mol
    Flash Point: 137.5±27.9 °C
    Index of Refraction: 1.530
    Molar Refractivity: 53.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.47
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.30
    ACD/KOC (pH 5.5): 171.70
    ACD/LogD (pH 7.4): 1.58
    ACD/BCF (pH 7.4): 9.30
    ACD/KOC (pH 7.4): 171.70
    Polar Surface Area: 30 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 41.0±5.0 dyne/cm
    Molar Volume: 174.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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