ChemSpider 2D Image | 5-Oxo-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxylic acid | C11H8F3NO3

5-Oxo-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC11H8F3NO3
  • Average mass259.181 Da
  • Monoisotopic mass259.045624 Da
  • ChemSpider ID29204107

More details:






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

3-Pyrrolidinecarboxylic acid, 5-oxo-1-(3,4,5-trifluorophenyl)- [ACD/Index Name]
5-Oxo-1-(3,4,5-trifluorophenyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
5-Oxo-1-(3,4,5-trifluorphenyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
Acide 5-oxo-1-(3,4,5-trifluorophényl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1429902-34-0 [RN]
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxylic acid
5-Oxo-1-(3,4,5-trifluoro-phenyl)-pyrrolidine-3-carboxylic acid
AGN-PC-0ETJIN
AKOS012105558
BBL032857
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 536.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.6±3.0 kJ/mol
    Flash Point: 278.2±30.1 °C
    Index of Refraction: 1.550
    Molar Refractivity: 52.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.74
    ACD/LogD (pH 5.5): -0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.41
    ACD/LogD (pH 7.4): -2.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 165.3±3.0 cm3

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