ChemSpider 2D Image | HO-3867 | C28H30F2N2O2

HO-3867

  • Molecular FormulaC28H30F2N2O2
  • Average mass464.547 Da
  • Monoisotopic mass464.227539 Da
  • ChemSpider ID32501973
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,5E)-3,5-Bis(4-fluorbenzyliden)-1-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-4-piperidinon [German] [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-fluorobenzylidene)-1-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-4-piperidinone [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-fluorobenzylidène)-1-[(1-hydroxy-2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrol-3-yl)méthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
1172133-28-6 [RN]
4-Piperidinone, 1-[(2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-3,5-bis[(4-fluorophenyl)methylene]-, (3E,5E)- [ACD/Index Name]
HO-3867
(3E,5E)-1-[(2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-3,5-bis[(4-fluorophenyl)methylene]-4-piperidinone
[1172133-28-6] [RN]
MFCD28143913

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 600.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.0±3.0 kJ/mol
    Flash Point: 316.9±31.5 °C
    Index of Refraction: 1.622
    Molar Refractivity: 132.6±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.53
    ACD/LogD (pH 5.5): 5.18
    ACD/BCF (pH 5.5): 4832.05
    ACD/KOC (pH 5.5): 14252.20
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5891.43
    ACD/KOC (pH 7.4): 17376.87
    Polar Surface Area: 44 Å2
    Polarizability: 52.6±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 376.5±3.0 cm3

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