ChemSpider 2D Image | N-Acetyl-3,4,5-trifluoro-D-phenylalanine | C11H10F3NO3

N-Acetyl-3,4,5-trifluoro-D-phenylalanine

  • Molecular FormulaC11H10F3NO3
  • Average mass261.197 Da
  • Monoisotopic mass261.061279 Da
  • ChemSpider ID22938149

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

324028-12-8 [RN]
D-Phenylalanine, N-acetyl-3,4,5-trifluoro- [ACD/Index Name]
N-Acetyl-3-(3,4,5-trifluorophenyl)-D-alanine
N-Acetyl-3,4,5-trifluor-D-phenylalanin [German] [ACD/IUPAC Name]
N-Acetyl-3,4,5-trifluoro-D-phenylalanine [ACD/IUPAC Name]
N-Acétyl-3,4,5-trifluoro-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-2-ACETAMIDO-3-(3,4,5-TRIFLUOROPHENYL)PROPANOIC ACID
(R)-(3,4,5-trifluoro-phenyl)-2-Acetylamino-propionic acid
(R)-2-Acetylamino-3-(3,4,5-trifluoro-phenyl)-propionic acid
MFCD09991567

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 446.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.3±3.0 kJ/mol
    Flash Point: 223.9±28.7 °C
    Index of Refraction: 1.503
    Molar Refractivity: 54.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -1.91
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 185.3±3.0 cm3

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