ChemSpider 2D Image | 4-(3-Azetidinyl)-2-(2,2-difluoroethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one | C9H14F2N4O

4-(3-Azetidinyl)-2-(2,2-difluoroethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC9H14F2N4O
  • Average mass232.230 Da
  • Monoisotopic mass232.113571 Da
  • ChemSpider ID58223679

More details:

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

3H-1,2,4-Triazol-3-one, 4-(3-azetidinyl)-2-(2,2-difluoroethyl)-5-ethyl-2,4-dihydro- [ACD/Index Name]
4-(3-Azetidinyl)-2-(2,2-difluorethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-(3-Azetidinyl)-2-(2,2-difluoroethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-(3-Azétidinyl)-2-(2,2-difluoroéthyl)-5-éthyl-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2098069-62-4 [RN]
4-(azetidin-3-yl)-2-(2,2-difluoroethyl)-5-ethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
MFCD30003176

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 286.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 127.2±30.1 °C
    Index of Refraction: 1.611
    Molar Refractivity: 53.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.52
    ACD/LogD (pH 5.5): -3.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 48 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 153.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement