ChemSpider 2D Image | Methyl 5-fluoro-6-(trifluoromethyl)nicotinate | C8H5F4NO2

Methyl 5-fluoro-6-(trifluoromethyl)nicotinate

  • Molecular FormulaC8H5F4NO2
  • Average mass223.124 Da
  • Monoisotopic mass223.025635 Da
  • ChemSpider ID59718002

More details:

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

3-Pyridinecarboxylic acid, 5-fluoro-6-(trifluoromethyl)-, methyl ester [ACD/Index Name]
5-Fluoro-6-(trifluorométhyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-fluoro-6-(trifluoromethyl)nicotinate [ACD/IUPAC Name]
Methyl-5-fluor-6-(trifluormethyl)nicotinat [German] [ACD/IUPAC Name]
1804053-00-6 [RN]
Methyl 5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
MFCD28799115
PS-11259

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 214.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.0±3.0 kJ/mol
    Flash Point: 83.3±27.3 °C
    Index of Refraction: 1.432
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 2.49
    ACD/BCF (pH 5.5): 45.64
    ACD/KOC (pH 5.5): 536.24
    ACD/LogD (pH 7.4): 2.49
    ACD/BCF (pH 7.4): 45.64
    ACD/KOC (pH 7.4): 536.24
    Polar Surface Area: 39 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 30.1±3.0 dyne/cm
    Molar Volume: 158.3±3.0 cm3

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