ChemSpider 2D Image | 1-[2-(4-Fluorophenyl)ethyl]-5-isobutoxy-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone | C25H26F4N2O2

1-[2-(4-Fluorophenyl)ethyl]-5-isobutoxy-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID123703627

More details:

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

1-[2-(4-Fluorophenyl)ethyl]-5-isobutoxy-2-({[4-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone [ACD/IUPAC Name]
1-[2-(4-Fluorophényl)éthyl]-5-isobutoxy-2-({[4-(trifluorométhyl)phényl]amino}méthyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
1-[2-(4-Fluorphenyl)ethyl]-5-isobutoxy-2-({[4-(trifluormethyl)phenyl]amino}methyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 1-[2-(4-fluorophenyl)ethyl]-5-(2-methylpropoxy)-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: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±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: 5.67
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2872.41
ACD/KOC (pH 5.5): 10395.87
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2875.78
ACD/KOC (pH 7.4): 10408.08
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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