ChemSpider 2D Image | 2-(Difluoromethyl)-6-fluorobenzonitrile | C8H4F3N

2-(Difluoromethyl)-6-fluorobenzonitrile

  • Molecular FormulaC8H4F3N
  • Average mass171.119 Da
  • Monoisotopic mass171.029587 Da
  • ChemSpider ID57379994

More details:

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

2-(Difluormethyl)-6-fluorbenzonitril [German] [ACD/IUPAC Name]
2-(Difluoromethyl)-6-fluorobenzonitrile [ACD/IUPAC Name]
2-(Difluorométhyl)-6-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(difluoromethyl)-6-fluoro- [ACD/Index Name]
1261442-19-6 [RN]
MFCD18395392
PS-11627

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 226.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 46.3±3.0 kJ/mol
    Flash Point: 91.1±27.3 °C
    Index of Refraction: 1.461
    Molar Refractivity: 36.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.88
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 30.69
    ACD/KOC (pH 5.5): 403.62
    ACD/LogD (pH 7.4): 2.26
    ACD/BCF (pH 7.4): 30.69
    ACD/KOC (pH 7.4): 403.62
    Polar Surface Area: 24 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 32.2±5.0 dyne/cm
    Molar Volume: 132.2±5.0 cm3

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