ChemSpider 2D Image | (3E,5E)-3,5-Bis(4-fluorobenzylidene)-1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-4-piperidinone | C28H30F2N2O

(3E,5E)-3,5-Bis(4-fluorobenzylidene)-1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]-4-piperidinone

  • Molecular FormulaC28H30F2N2O
  • Average mass448.547 Da
  • Monoisotopic mass448.232605 Da
  • ChemSpider ID26629903
  • 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-[(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-[(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-[(2,2,5,5-tétraméthyl-2,5-dihydro-1H-pyrrol-3-yl)méthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 1-[(2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]-3,5-bis[(4-fluorophenyl)methylene]-, (3E,5E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 302.0±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 20.92
ACD/KOC (pH 5.5): 40.52
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 126.04
ACD/KOC (pH 7.4): 244.09
Polar Surface Area: 32 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

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