ChemSpider 2D Image | 3-Methyl-2,4-dioxo-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C8H6F3N3O2

3-Methyl-2,4-dioxo-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID53617930

More details:

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

3-Methyl-2,4-dioxo-1-(2,2,2-trifluorethyl)-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
3-Methyl-2,4-dioxo-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
3-Méthyl-2,4-dioxo-1-(2,2,2-trifluoroéthyl)-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
2097960-06-8 [RN]
3-methyl-2,4-dioxo-1-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
MFCD30005332

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 250.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.8±3.0 kJ/mol
    Flash Point: 105.4±30.1 °C
    Index of Refraction: 1.501
    Molar Refractivity: 45.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 0.95
    ACD/BCF (pH 5.5): 3.09
    ACD/KOC (pH 5.5): 78.11
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 3.09
    ACD/KOC (pH 7.4): 78.11
    Polar Surface Area: 64 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 47.4±5.0 dyne/cm
    Molar Volume: 152.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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