ChemSpider 2D Image | (2Z,6Z)-2-(4-Methoxybenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone | C16H15F3O3

(2Z,6Z)-2-(4-Methoxybenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone

  • Molecular FormulaC16H15F3O3
  • Average mass312.284 Da
  • Monoisotopic mass312.097321 Da
  • ChemSpider ID20061023

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,6Z)-2-(4-Methoxybenzyliden)-6-(2,2,2-trifluor-1-hydroxyethyliden)cyclohexanon [German] [ACD/IUPAC Name]
(2Z,6Z)-2-(4-Methoxybenzylidene)-6-(2,2,2-trifluoro-1-hydroxyethylidene)cyclohexanone [ACD/IUPAC Name]
(2Z,6Z)-2-(4-Méthoxybenzylidène)-6-(2,2,2-trifluoro-1-hydroxyéthylidène)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2-[(4-methoxyphenyl)methylene]-6-(2,2,2-trifluoro-1-hydroxyethylidene)-, (2Z,6Z)- [ACD/Index Name]
2-(4-Methoxy-benzylidene)-6-(2,2,2-trifluoro-1-hydroxy-ethylidene)-cyclohexanone
664314-77-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 466.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 235.9±28.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 76.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.01
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 84.11
    ACD/KOC (pH 5.5): 420.58
    ACD/LogD (pH 7.4): 1.40
    ACD/BCF (pH 7.4): 1.45
    ACD/KOC (pH 7.4): 7.26
    Polar Surface Area: 47 Å2
    Polarizability: 30.1±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 234.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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