ChemSpider 2D Image | 3-Amino-3-(2,5-difluorophenyl)propanenitrile | C9H8F2N2

3-Amino-3-(2,5-difluorophenyl)propanenitrile

  • Molecular FormulaC9H8F2N2
  • Average mass182.170 Da
  • Monoisotopic mass182.065552 Da
  • ChemSpider ID32972007

More details:

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

3-Amino-3-(2,5-difluorophenyl)propanenitrile [ACD/IUPAC Name]
3-Amino-3-(2,5-difluorophényl)propanenitrile [French] [ACD/IUPAC Name]
3-Amino-3-(2,5-difluorphenyl)propannitril [German] [ACD/IUPAC Name]
Benzenepropanenitrile, β-amino-2,5-difluoro- [ACD/Index Name]
1213157-34-6 [RN]
1213428-76-2 [RN]
1270391-48-4 [RN]
MFCD09819540
MFCD09819541
MFCD18705242

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 307.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 139.5±26.5 °C
    Index of Refraction: 1.517
    Molar Refractivity: 43.9±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): 0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.21
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 3.08
    ACD/KOC (pH 7.4): 76.87
    Polar Surface Area: 50 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 145.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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