ChemSpider 2D Image | 1-(4-Fluorobenzyl)-5-(3-methylbutoxy)-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone | C25H26F4N2O2

1-(4-Fluorobenzyl)-5-(3-methylbutoxy)-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID124314805

More details:

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

1-(4-Fluorbenzyl)-5-(3-methylbutoxy)-2-({[4-(trifluormethyl)phenyl]amino}methyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-5-(3-methylbutoxy)-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone [ACD/IUPAC Name]
1-(4-Fluorobenzyl)-5-(3-méthylbutoxy)-2-({[4-(trifluorométhyl)phényl]amino}méthyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 1-[(4-fluorophenyl)methyl]-5-(3-methylbutoxy)-2-[[[4-(trifluoromethyl)phenyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3919.46
ACD/KOC (pH 5.5): 12986.38
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3923.74
ACD/KOC (pH 7.4): 13000.58
Polar Surface Area: 42 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 366.3±5.0 cm3

Click to predict properties on the Chemicalize site


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