ChemSpider 2D Image | (3S)-3-Hydroxy-4-(2,4,5-trifluorophenyl)butanoic acid | C10H9F3O3

(3S)-3-Hydroxy-4-(2,4,5-trifluorophenyl)butanoic acid

  • Molecular FormulaC10H9F3O3
  • Average mass234.172 Da
  • Monoisotopic mass234.050385 Da
  • ChemSpider ID24021417

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Hydroxy-4-(2,4,5-trifluorophenyl)butanoic acid [ACD/IUPAC Name]
(3S)-3-Hydroxy-4-(2,4,5-trifluorphenyl)butansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-hydroxy-4-(2,4,5-trifluorophényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2,4,5-trifluoro-β-hydroxy-, (βS)- [ACD/Index Name]
(S)-3-Hydroxy-4-(2,4,5-trifluorophenyl)butanoic acid
(S)-3-Hydroxy-4-(2,4,5-Trifluorophenyl)Butanoic Acid (en)
(S)-3-Hydroxy-4-(2,4,5-trifluorophenyl)butanoicacid
(S)-3-Hydroxy-4-(2,4,5-trifluoro-phenyl)-butyric acid
(S)-3-HYDROXY-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRICACID
[868071-17-4] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 340.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.6±3.0 kJ/mol
    Flash Point: 159.7±27.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 48.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.83
    ACD/LogD (pH 5.5): -0.32
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.76
    ACD/LogD (pH 7.4): -2.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 19.1±0.5 10-24cm3
    Surface Tension: 47.3±3.0 dyne/cm
    Molar Volume: 160.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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