ChemSpider 2D Image | 5-(Trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carbonitrile | C5H4F3N3

5-(Trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC5H4F3N3
  • Average mass163.101 Da
  • Monoisotopic mass163.035736 Da
  • ChemSpider ID21417207

More details:

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

1H-Pyrazole-3-carbonitrile, 4,5-dihydro-5-(trifluoromethyl)- [ACD/Index Name]
5-(Trifluormethyl)-4,5-dihydro-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
5-(Trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
5-(Trifluorométhyl)-4,5-dihydro-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]
5-(trifluormethyl)-4,5-dihydro-1H-pyrazol-3-kohlenitrile
5-Trifluoromethyl-4,5-dihydro-1H-pyrazole-3-carbonitrile
69918-43-0 [RN]
AGN-PC-0NJ1TM
MFCD28140598

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 158.5±43.0 °C at 760 mmHg
    Vapour Pressure: 2.6±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.5±3.0 kJ/mol
    Flash Point: 49.7±28.2 °C
    Index of Refraction: 1.508
    Molar Refractivity: 31.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.24
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.27
    ACD/KOC (pH 5.5): 41.26
    ACD/LogD (pH 7.4): 0.44
    ACD/BCF (pH 7.4): 1.27
    ACD/KOC (pH 7.4): 41.26
    Polar Surface Area: 48 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 35.0±7.0 dyne/cm
    Molar Volume: 104.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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