ChemSpider 2D Image | Methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate | C7H6F3NO2

Methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

  • Molecular FormulaC7H6F3NO2
  • Average mass193.123 Da
  • Monoisotopic mass193.035065 Da
  • ChemSpider ID58836298

More details:

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

1398113-33-1 [RN]
1H-Pyrrole-2-carboxylic acid, 4-(trifluoromethyl)-, methyl ester [ACD/Index Name]
4-(Trifluorométhyl)-1H-pyrrole-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Methyl-4-(trifluormethyl)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
METHYL 4-TRIFLUOROMETHYL-1H-PYRROLE-2-CARBOXYLATE
Methyl4-trifluoromethyl-1H-pyrrole-2-carboxylate
MFCD28501805

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 244.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.1±3.0 kJ/mol
    Flash Point: 101.4±27.3 °C
    Index of Refraction: 1.451
    Molar Refractivity: 37.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.25
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.05
    ACD/KOC (pH 5.5): 358.99
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.05
    ACD/KOC (pH 7.4): 358.99
    Polar Surface Area: 42 Å2
    Polarizability: 14.8±0.5 10-24cm3
    Surface Tension: 31.2±3.0 dyne/cm
    Molar Volume: 139.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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