ChemSpider 2D Image | Methyl 1-{[2-(3,5-difluorophenyl)-2-oxoethyl]amino}cyclopentanecarboxylate | C15H17F2NO3

Methyl 1-{[2-(3,5-difluorophenyl)-2-oxoethyl]amino}cyclopentanecarboxylate

  • Molecular FormulaC15H17F2NO3
  • Average mass297.297 Da
  • Monoisotopic mass297.117645 Da
  • ChemSpider ID44208967

More details:

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

1-{[2-(3,5-Difluorophényl)-2-oxoéthyl]amino}cyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[[2-(3,5-difluorophenyl)-2-oxoethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 1-{[2-(3,5-difluorophenyl)-2-oxoethyl]amino}cyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-1-{[2-(3,5-difluorphenyl)-2-oxoethyl]amino}cyclopentancarboxylat [German] [ACD/IUPAC Name]
957121-88-9 [RN]
CS-14461
methyl 1-((2-(3,5-difluorophenyl)-2-oxoethyl)amino)cyclopentanecarboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 391.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.5±27.9 °C
    Index of Refraction: 1.523
    Molar Refractivity: 72.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.86
    ACD/KOC (pH 5.5): 624.22
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.94
    ACD/KOC (pH 7.4): 636.13
    Polar Surface Area: 55 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 236.6±5.0 cm3

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