ChemSpider 2D Image | 1-[2-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile | C11H8F3N

1-[2-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile

  • Molecular FormulaC11H8F3N
  • Average mass211.183 Da
  • Monoisotopic mass211.060883 Da
  • ChemSpider ID14676100

More details:

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

1-[2-(Trifluormethyl)phenyl]cyclopropancarbonitril [German] [ACD/IUPAC Name]
1-[2-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile [ACD/IUPAC Name]
1-[2-(Trifluorométhyl)phényl]cyclopropanecarbonitrile [French] [ACD/IUPAC Name]
124276-63-7 [RN]
Cyclopropanecarbonitrile, 1-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(2-(trifluoromethyl)phenyl)cyclopropanecarbonitrile
1-[2-(Trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
MFCD07374410 [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: 278.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.7±3.0 kJ/mol
    Flash Point: 122.3±27.3 °C
    Index of Refraction: 1.502
    Molar Refractivity: 48.2±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 2.88
    ACD/BCF (pH 5.5): 90.90
    ACD/KOC (pH 5.5): 878.08
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 90.90
    ACD/KOC (pH 7.4): 878.08
    Polar Surface Area: 24 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 36.8±5.0 dyne/cm
    Molar Volume: 163.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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