ChemSpider 2D Image | 4-Fluoro-3-(trifluoromethyl)-L-phenylalanine | C10H9F4NO2

4-Fluoro-3-(trifluoromethyl)-L-phenylalanine

  • Molecular FormulaC10H9F4NO2
  • Average mass251.178 Da
  • Monoisotopic mass251.056946 Da
  • ChemSpider ID41029442

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Fluor-3-(trifluormethyl)-L-phenylalanin [German] [ACD/IUPAC Name]
4-Fluoro-3-(trifluoromethyl)-L-phenylalanine [ACD/IUPAC Name]
4-Fluoro-3-(trifluorométhyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-fluoro-3-(trifluoromethyl)- [ACD/Index Name]
(2s)-2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
(S)-2-amino-3-(4-fluoro-3-(trifluoromethyl)phenyl)propanoic acid
1260004-58-7 [RN]
4-Fluoro-3-(trifluoromethyl)-DL-phenylalanine [ACD/IUPAC Name]
JS-4348
MFCD18661927

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 311.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 142.2±27.9 °C
    Index of Refraction: 1.488
    Molar Refractivity: 50.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.76
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 63 Å2
    Polarizability: 20.0±0.5 10-24cm3
    Surface Tension: 38.5±3.0 dyne/cm
    Molar Volume: 175.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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