ChemSpider 2D Image | 1-[3-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile | C11H8F3N

1-[3-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile

  • Molecular FormulaC11H8F3N
  • Average mass211.183 Da
  • Monoisotopic mass211.060883 Da
  • ChemSpider ID14676098

More details:

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

1-[3-(Trifluormethyl)phenyl]cyclopropancarbonitril [German] [ACD/IUPAC Name]
1-[3-(Trifluoromethyl)phenyl]cyclopropanecarbonitrile [ACD/IUPAC Name]
1-[3-(Trifluorométhyl)phényl]cyclopropanecarbonitrile [French] [ACD/IUPAC Name]
Cyclopropanecarbonitrile, 1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-(3-(trifluoromethyl)phenyl)cyclopropanecarbonitrile
1-(3-Trifluoromethylphenyl)-1-cyanocyclopropane
1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
124305-68-6 [RN]
90%
MFCD07374416 [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: 254.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.2±3.0 kJ/mol
    Flash Point: 107.8±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): 91.33
    ACD/KOC (pH 5.5): 881.06
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 91.33
    ACD/KOC (pH 7.4): 881.06
    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


    Advertisement