ChemSpider 2D Image | 1-(3,3,3-Trifluoro-2-oxopropyl)-3-piperidinecarboxylic acid | C9H12F3NO3

1-(3,3,3-Trifluoro-2-oxopropyl)-3-piperidinecarboxylic acid

  • Molecular FormulaC9H12F3NO3
  • Average mass239.192 Da
  • Monoisotopic mass239.076935 Da
  • ChemSpider ID53610891

More details:

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

1-(3,3,3-Trifluor-2-oxopropyl)-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-(3,3,3-Trifluoro-2-oxopropyl)-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-(3,3,3-trifluoro-2-oxopropyl)- [ACD/Index Name]
Acide 1-(3,3,3-trifluoro-2-oxopropyl)-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-(3,3,3-trifluoro-2-oxopropyl)piperidine-3-carboxylic acid
2098011-51-7 [RN]
MFCD29994106

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 303.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 59.8±6.0 kJ/mol
    Flash Point: 137.5±27.9 °C
    Index of Refraction: 1.445
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.77
    ACD/LogD (pH 7.4): -1.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 36.6±3.0 dyne/cm
    Molar Volume: 177.4±3.0 cm3

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