ChemSpider 2D Image | 1-(4-Butylphenyl)-2,2,2-trifluoroethanamine | C12H16F3N

1-(4-Butylphenyl)-2,2,2-trifluoroethanamine

  • Molecular FormulaC12H16F3N
  • Average mass231.257 Da
  • Monoisotopic mass231.123489 Da
  • ChemSpider ID21521768

More details:

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

1-(4-Butylphenyl)-2,2,2-trifluorethanamin [German] [ACD/IUPAC Name]
1-(4-Butylphenyl)-2,2,2-trifluoroethanamine [ACD/IUPAC Name]
1-(4-Butylphényl)-2,2,2-trifluoroéthanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, 4-butyl-α-(trifluoromethyl)- [ACD/Index Name]
1-(4-butylphenyl)-2,2,2-trifluoroethan-1-amine
1-(4-BUTYLPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
MFCD07374598

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 278.0±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: 121.1±12.0 °C
    Index of Refraction: 1.473
    Molar Refractivity: 58.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 19.90
    ACD/KOC (pH 5.5): 169.10
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 132.44
    ACD/KOC (pH 7.4): 1125.31
    Polar Surface Area: 26 Å2
    Polarizability: 23.2±0.5 10-24cm3
    Surface Tension: 30.6±3.0 dyne/cm
    Molar Volume: 208.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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