ChemSpider 2D Image | 2,2,2-Trifluoroethyl (2E)-4-(cyclohexylamino)-4-oxo-2-butenoate | C12H16F3NO3

2,2,2-Trifluoroethyl (2E)-4-(cyclohexylamino)-4-oxo-2-butenoate

  • Molecular FormulaC12H16F3NO3
  • Average mass279.255 Da
  • Monoisotopic mass279.108215 Da
  • ChemSpider ID21802922

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-(Cyclohexylamino)-4-oxo-2-buténoate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-(2E)-4-(cyclohexylamino)-4-oxo-2-butenoat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl (2E)-4-(cyclohexylamino)-4-oxo-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, 2,2,2-trifluoroethyl ester, (2E)- [ACD/Index Name]
(E)-2,2,2-trifluoroethyl 4-(cyclohexylamino)-4-oxobut-2-enoate
2,2,2-trifluoroethyl (2E)-4-(cyclohexylamino)-4-oxobut-2-enoate
2,2,2-trifluoroethyl (E)-4-(cyclohexylamino)-4-oxobut-2-enoate
3-Cyclohexylcarbamoyl-acrylic acid 2,2,2-trifluoro-ethyl ester
494842-10-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 391.2±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: 190.4±27.9 °C
    Index of Refraction: 1.456
    Molar Refractivity: 61.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.07
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.08
    ACD/KOC (pH 5.5): 126.71
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.08
    ACD/KOC (pH 7.4): 126.71
    Polar Surface Area: 55 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 35.0±5.0 dyne/cm
    Molar Volume: 225.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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