ChemSpider 2D Image | 2-Oxo-2-{[4-(trifluoromethyl)benzyl]amino}ethyl 2,4-difluorobenzoate | C17H12F5NO3

2-Oxo-2-{[4-(trifluoromethyl)benzyl]amino}ethyl 2,4-difluorobenzoate

  • Molecular FormulaC17H12F5NO3
  • Average mass373.274 Da
  • Monoisotopic mass373.073730 Da
  • ChemSpider ID25187298

More details:

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

2,4-Difluorobenzoate de 2-oxo-2-{[4-(trifluorométhyl)benzyl]amino}éthyle [French] [ACD/IUPAC Name]
2-Oxo-2-{[4-(trifluormethyl)benzyl]amino}ethyl-2,4-difluorbenzoat [German] [ACD/IUPAC Name]
2-Oxo-2-{[4-(trifluoromethyl)benzyl]amino}ethyl 2,4-difluorobenzoate [ACD/IUPAC Name]
Benzoic acid, 2,4-difluoro-, 2-oxo-2-[[[4-(trifluoromethyl)phenyl]methyl]amino]ethyl ester [ACD/Index Name]
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 2,4-difluorobenzoate
1291854-59-5 [RN]
2,4-Difluoro-benzoic acid (4-trifluoromethyl-benzylcarbamoyl)-methyl ester
2-oxo-2-((4-(trifluoromethyl)benzyl)amino)ethyl 2,4-difluorobenzoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 517.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±3.0 kJ/mol
    Flash Point: 266.5±30.1 °C
    Index of Refraction: 1.510
    Molar Refractivity: 80.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 317.75
    ACD/KOC (pH 5.5): 2150.79
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 317.75
    ACD/KOC (pH 7.4): 2150.78
    Polar Surface Area: 55 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 38.2±3.0 dyne/cm
    Molar Volume: 268.9±3.0 cm3

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