ChemSpider 2D Image | 2-(2,2,2-Trifluoroethoxy)-5-pyrimidinecarboxylic acid | C7H5F3N2O3

2-(2,2,2-Trifluoroethoxy)-5-pyrimidinecarboxylic acid

  • Molecular FormulaC7H5F3N2O3
  • Average mass222.121 Da
  • Monoisotopic mass222.025223 Da
  • ChemSpider ID35329362

More details:

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

2-(2,2,2-Trifluorethoxy)-5-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
2-(2,2,2-Trifluoroethoxy)-5-pyrimidinecarboxylic acid [ACD/IUPAC Name]
2-(2,2,2-Trifluoroethoxy)pyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 2-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
944905-08-2 [RN]
Acide 2-(2,2,2-trifluoroéthoxy)-5-pyrimidinecarboxylique [French] [ACD/IUPAC Name]
2-(2,2,2-Trifluoro-ethoxy)-pyrimidine-5-carboxylic acid
2-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylicacid
DS-18717
MFCD10696903

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 334.1±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.9±3.0 kJ/mol
    Flash Point: 155.8±30.7 °C
    Index of Refraction: 1.478
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): -1.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 72 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 145.3±3.0 cm3

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