Found 51 results

Search term: MF = 'C_{5}H_{3}F_{3}N_{2}O'
ChemSpider 2D Image | 2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone | C5H3F3N2O

2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone

  • Molecular FormulaC5H3F3N2O
  • Average mass164.085 Da
  • Monoisotopic mass164.019745 Da
  • ChemSpider ID23978466

More details:

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

161957-47-7 [RN]
2,2,2-Trifluor-1-(1H-pyrazol-4-yl)ethanon [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)ethanone [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(1H-pyrazol-4-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2,2-trifluoro-1-(1H-pyrazol-4-yl)- [ACD/Index Name]
2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethan-1-one
DS-11599
Ethanone, 2,2,2-trifluoro-1-(1H-pyrazol-4-yl)- (9CI)
MFCD18879656

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 240.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.8±3.0 kJ/mol
    Flash Point: 99.4±25.9 °C
    Index of Refraction: 1.450
    Molar Refractivity: 29.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.67
    ACD/LogD (pH 5.5): 0.97
    ACD/BCF (pH 5.5): 3.23
    ACD/KOC (pH 5.5): 80.63
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 3.21
    ACD/KOC (pH 7.4): 80.04
    Polar Surface Area: 46 Å2
    Polarizability: 11.6±0.5 10-24cm3
    Surface Tension: 37.7±3.0 dyne/cm
    Molar Volume: 108.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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