ChemSpider 2D Image | Methyl 2-{[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)-4-pentynoate | C15H14F3NO4

Methyl 2-{[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)-4-pentynoate

  • Molecular FormulaC15H14F3NO4
  • Average mass329.271 Da
  • Monoisotopic mass329.087494 Da
  • ChemSpider ID21522016

More details:

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

2-{[(Benzyloxy)carbonyl]amino}-2-(trifluorométhyl)-4-pentynoate de méthyle [French] [ACD/IUPAC Name]
4-Pentynoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-2-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 2-{[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)-4-pentynoate [ACD/IUPAC Name]
Methyl-2-{[(benzyloxy)carbonyl]amino}-2-(trifluormethyl)-4-pentinoat [German] [ACD/IUPAC Name]
929616-31-9 [RN]
97%
METHYL 2-{[(BENZYLOXY)CARBONYL]AMINO}-2-(TRIFLUOROMETHYL)PENT-4-YNOATE
MFCD07779891

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 434.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 216.3±28.7 °C
    Index of Refraction: 1.492
    Molar Refractivity: 73.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.47
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 227.33
    ACD/KOC (pH 5.5): 1672.04
    ACD/LogD (pH 7.4): 2.79
    ACD/BCF (pH 7.4): 54.65
    ACD/KOC (pH 7.4): 401.94
    Polar Surface Area: 65 Å2
    Polarizability: 29.2±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 253.8±3.0 cm3

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