ChemSpider 2D Image | 2-[(Dimethylamino)methylene]-5-(4-fluorophenyl)-1,3-cyclohexanedione | C15H16FNO2

2-[(Dimethylamino)methylene]-5-(4-fluorophenyl)-1,3-cyclohexanedione

  • Molecular FormulaC15H16FNO2
  • Average mass261.291 Da
  • Monoisotopic mass261.116516 Da
  • ChemSpider ID23364811
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Cyclohexanedione, 2-[(dimethylamino)methylene]-5-(4-fluorophenyl)- [ACD/Index Name]
2-[(Dimethylamino)methylen]-5-(4-fluorphenyl)-1,3-cyclohexandion [German] [ACD/IUPAC Name]
2-[(Dimethylamino)methylene]-5-(4-fluorophenyl)-1,3-cyclohexanedione [ACD/IUPAC Name]
2-[(Diméthylamino)méthylène]-5-(4-fluorophényl)-1,3-cyclohexanedione [French] [ACD/IUPAC Name]
2-[(Dimethylamino)methylene]-5-(4-fluorophenyl)cyclohexane-1,3-dione
1030419-83-0 [RN]
2-((dimethylamino)methylene)-5-(4-fluorophenyl)cyclohexane-1,3-dione
2-[(dimethylamino)methylidene]-5-(4-fluorophenyl)cyclohexane-1,3-dione
MFCD13811664

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 387.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.3±27.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 71.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.78
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 41.84
    ACD/KOC (pH 5.5): 503.42
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 41.99
    ACD/KOC (pH 7.4): 505.18
    Polar Surface Area: 37 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 208.8±3.0 cm3

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