ChemSpider 2D Image | 1-(2,2,2-Trifluoroethyl)-1H-imidazole-4-carboxylic acid | C6H5F3N2O2

1-(2,2,2-Trifluoroethyl)-1H-imidazole-4-carboxylic acid

  • Molecular FormulaC6H5F3N2O2
  • Average mass194.111 Da
  • Monoisotopic mass194.030319 Da
  • ChemSpider ID29739007

More details:

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

1-(2,2,2-Trifluorethyl)-1H-imidazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2,2,2-Trifluoroethyl)-1H-imidazole-4-carboxylic acid [ACD/IUPAC Name]
1378717-34-0 [RN]
1H-Imidazole-4-carboxylic acid, 1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
Acide 1-(2,2,2-trifluoroéthyl)-1H-imidazole-4-carboxylique [French] [ACD/IUPAC Name]
KS-8311
MFCD20661074

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 347.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 163.7±27.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 36.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5): -0.90
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.22
    ACD/LogD (pH 7.4): -2.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 39.0±7.0 dyne/cm
    Molar Volume: 124.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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