ChemSpider 2D Image | 4-(1,1-Difluoroethyl)-5-pyrimidinecarbonitrile | C7H5F2N3

4-(1,1-Difluoroethyl)-5-pyrimidinecarbonitrile

  • Molecular FormulaC7H5F2N3
  • Average mass169.132 Da
  • Monoisotopic mass169.045151 Da
  • ChemSpider ID29361045

More details:

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

1427195-16-1 [RN]
4-(1,1-Difluorethyl)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-(1,1-Difluoroethyl)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-(1,1-Difluoroéthyl)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-(1,1-Difluoroethyl)pyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4-(1,1-difluoroethyl)- [ACD/Index Name]
[1427195-16-1] [RN]
4-(1,1-difluoro-ethyl)-pyrimidine-5-carbonitrile
MFCD24368639 [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: 285.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.5±3.0 kJ/mol
    Flash Point: 126.5±25.9 °C
    Index of Refraction: 1.475
    Molar Refractivity: 36.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.23
    ACD/LogD (pH 5.5): 0.52
    ACD/BCF (pH 5.5): 1.47
    ACD/KOC (pH 5.5): 45.95
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.47
    ACD/KOC (pH 7.4): 45.95
    Polar Surface Area: 50 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 46.0±5.0 dyne/cm
    Molar Volume: 129.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement