ChemSpider 2D Image | 2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-5-fluoroaniline | C8H8F4N2

2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-5-fluoroaniline

  • Molecular FormulaC8H8F4N2
  • Average mass208.156 Da
  • Monoisotopic mass208.062363 Da
  • ChemSpider ID27463950

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1S)-1-Amino-2,2,2-trifluorethyl]-5-fluoranilin [German] [ACD/IUPAC Name]
2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-5-fluoroaniline [ACD/IUPAC Name]
2-[(1S)-1-Amino-2,2,2-trifluoroéthyl]-5-fluoroaniline [French] [ACD/IUPAC Name]
Benzenemethanamine, 2-amino-4-fluoro-α-(trifluoromethyl)-, (αS)- [ACD/Index Name]
(1S)-1-(2-AMINO-4-FLUOROPHENYL)-2,2,2-TRIFLUOROETHYLAMINE
(1S)-1-(2-AMINO-4-FLUOROPHENYL)-2,2,2-TRIFLUOROETHYL-AMINE
MFCD14566379

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 278.3±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: 124.1±18.0 °C
    Index of Refraction: 1.501
    Molar Refractivity: 44.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): -0.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.07
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 2.27
    ACD/KOC (pH 7.4): 60.69
    Polar Surface Area: 52 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 149.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement