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

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

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID123844437

More details:

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

4(1H)-Pyridinone, 5-[(3-fluorophenyl)methoxy]-1-pentyl-2-[[[3-(trifluoromethyl)phenyl]amino]methyl]- [ACD/Index Name]
5-[(3-Fluorbenzyl)oxy]-1-pentyl-2-({[3-(trifluormethyl)phenyl]amino}methyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(3-Fluorobenzyl)oxy]-1-pentyl-2-({[3-(trifluoromethyl)phenyl]amino}methyl)-4(1H)-pyridinone [ACD/IUPAC Name]
5-[(3-Fluorobenzyl)oxy]-1-pentyl-2-({[3-(trifluorométhyl)phényl]amino}méthyl)-4(1H)-pyridinone [French] [ACD/IUPAC 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: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.95
ACD/BCF (pH 5.5): 19376.84
ACD/KOC (pH 5.5): 40591.24
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19687.97
ACD/KOC (pH 7.4): 41243.00
Polar Surface Area: 42 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 365.7±5.0 cm3

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