ChemSpider 2D Image | 1-[6-(Trifluoromethyl)-4-pyrimidinyl]-3-azetidinecarboxylic acid | C9H8F3N3O2

1-[6-(Trifluoromethyl)-4-pyrimidinyl]-3-azetidinecarboxylic acid

  • Molecular FormulaC9H8F3N3O2
  • Average mass247.174 Da
  • Monoisotopic mass247.056854 Da
  • ChemSpider ID39187659

More details:

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

1-[6-(Trifluormethyl)-4-pyrimidinyl]-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
1-[6-(Trifluoromethyl)-4-pyrimidinyl]-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-Azetidinecarboxylic acid, 1-[6-(trifluoromethyl)-4-pyrimidinyl]- [ACD/Index Name]
Acide 1-[6-(trifluorométhyl)-4-pyrimidinyl]-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(6-(trifluoromethyl)pyrimidin-4-yl)azetidine-3-carboxylic acid
2012863-56-6 [RN]
MFCD29993560

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 409.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 201.6±28.7 °C
    Index of Refraction: 1.532
    Molar Refractivity: 49.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): -1.07
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.62
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 56.3±3.0 dyne/cm
    Molar Volume: 158.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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