ChemSpider 2D Image | Methyl 4,4-difluoro-3-hydroxyvalinate | C6H11F2NO3

Methyl 4,4-difluoro-3-hydroxyvalinate

  • Molecular FormulaC6H11F2NO3
  • Average mass183.153 Da
  • Monoisotopic mass183.070694 Da
  • ChemSpider ID64862405

More details:

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

4,4-Difluoro-3-hydroxyvalinate de méthyle [French] [ACD/IUPAC Name]
Methyl 4,4-difluoro-3-hydroxyvalinate [ACD/IUPAC Name]
Methyl-4,4-difluor-3-hydroxyvalinat [German] [ACD/IUPAC Name]
Valine, 4,4-difluoro-3-hydroxy-, methyl ester [ACD/Index Name]
1822350-04-8 [RN]
METHYL 2-AMINO-4,4-DIFLUORO-3-HYDROXY-3-METHYLBUTANOATE
MFCD24665620

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 289.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 61.3±6.0 kJ/mol
    Flash Point: 128.6±27.3 °C
    Index of Refraction: 1.426
    Molar Refractivity: 36.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 23.87
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 40.36
    Polar Surface Area: 73 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 35.1±3.0 dyne/cm
    Molar Volume: 143.9±3.0 cm3

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