ChemSpider 2D Image | 2-Methyl-2-propanyl {3-[benzyl(trifluoroacetyl)amino]-1,1,1-trifluoro-2-propanyl}carbamate | C17H20F6N2O3

2-Methyl-2-propanyl {3-[benzyl(trifluoroacetyl)amino]-1,1,1-trifluoro-2-propanyl}carbamate

  • Molecular FormulaC17H20F6N2O3
  • Average mass414.343 Da
  • Monoisotopic mass414.137817 Da
  • ChemSpider ID64866043

More details:

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

{3-[Benzyl(2,2,2-trifluoroacétyl)amino]-1,1,1-trifluoro-2-propanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {3-[benzyl(trifluoroacetyl)amino]-1,1,1-trifluoro-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{3-[benzyl(trifluoracetyl)amino]-1,1,1-trifluor-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2,2,2-trifluoro-1-[[(phenylmethyl)(2,2,2-trifluoroacetyl)amino]methyl]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl (3-(N-benzyl-2,2,2-trifluoroacetamido)-1,1,1-trifluoropropan-2-yl)carbamate
TERT-BUTYL(3-(N-BENZYL-2,2,2-TRIFLUOROACETAMIDO)-1,1,1-TRIFLUOROPROPAN-2-YL)CARBAMATE
tert-butyl(3-(N-benzyl-2,2,2-trifluoroacetamido)-1,1,1-trifluoropropan-2-yl)carbamate(WXFC0432)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 455.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 229.2±28.7 °C
    Index of Refraction: 1.458
    Molar Refractivity: 87.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 6.28
    ACD/LogD (pH 5.5): 4.70
    ACD/BCF (pH 5.5): 2181.40
    ACD/KOC (pH 5.5): 8540.04
    ACD/LogD (pH 7.4): 4.70
    ACD/BCF (pH 7.4): 2176.17
    ACD/KOC (pH 7.4): 8519.56
    Polar Surface Area: 59 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 32.4±3.0 dyne/cm
    Molar Volume: 320.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement