ChemSpider 2D Image | Ethyl (2-{cyano[6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]methyl}-1,1,1,3,3,3-hexafluoro-2-propanyl)carbamate | C15H12F12N4O4

Ethyl (2-{cyano[6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]methyl}-1,1,1,3,3,3-hexafluoro-2-propanyl)carbamate

  • Molecular FormulaC15H12F12N4O4
  • Average mass540.261 Da
  • Monoisotopic mass540.066711 Da
  • ChemSpider ID2854993

More details:

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

(2-{Cyano[6-éthoxy-4,4-bis(trifluorométhyl)-4H-1,3,5-oxadiazin-2-yl]méthyl}-1,1,1,3,3,3-hexafluoro-2-propanyl)carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1-[cyano[6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]methyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, ethyl ester [ACD/Index Name]
Ethyl (2-{cyano[6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]methyl}-1,1,1,3,3,3-hexafluoro-2-propanyl)carbamate [ACD/IUPAC Name]
Ethyl (2-{cyano[6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl]methyl}-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Ethyl-(2-{cyan[6-ethoxy-4,4-bis(trifluormethyl)-4H-1,3,5-oxadiazin-2-yl]methyl}-1,1,1,3,3,3-hexafluor-2-propanyl)carbamat [German] [ACD/IUPAC Name]
327100-55-0 [RN]
ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
ethyl N-[2-[cyano-[6-ethoxy-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.425
    Molar Refractivity: 86.5±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 11.84
    ACD/LogD (pH 5.5): 7.18
    ACD/BCF (pH 5.5): 162321.41
    ACD/KOC (pH 5.5): 178918.61
    ACD/LogD (pH 7.4): 6.15
    ACD/BCF (pH 7.4): 15249.50
    ACD/KOC (pH 7.4): 16808.75
    Polar Surface Area: 105 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 29.0±7.0 dyne/cm
    Molar Volume: 338.1±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement