ChemSpider 2D Image | 3-[(4-Fluorobenzyl)amino]-1-(3-octanyl)-4-(2,4,5-trifluorophenyl)-1H-pyrrole-2,5-dione | C25H26F4N2O2

3-[(4-Fluorobenzyl)amino]-1-(3-octanyl)-4-(2,4,5-trifluorophenyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID125391113

More details:

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

1H-Pyrrole-2,5-dione, 1-(1-ethylhexyl)-3-[[(4-fluorophenyl)methyl]amino]-4-(2,4,5-trifluorophenyl)- [ACD/Index Name]
3-[(4-Fluorbenzyl)amino]-1-(3-octanyl)-4-(2,4,5-trifluorphenyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(4-Fluorobenzyl)amino]-1-(3-octanyl)-4-(2,4,5-trifluorophenyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(4-Fluorobenzyl)amino]-1-(3-octanyl)-4-(2,4,5-trifluorophényl)-1H-pyrrole-2,5-dione [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: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.2±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44143.08
ACD/KOC (pH 5.5): 73514.91
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44143.13
ACD/KOC (pH 7.4): 73514.99
Polar Surface Area: 49 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 362.5±5.0 cm3

Click to predict properties on the Chemicalize site


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