ChemSpider 2D Image | 1-[2-(2-Fluorophenyl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone | C22H24F4N2O

1-[2-(2-Fluorophenyl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone

  • Molecular FormulaC22H24F4N2O
  • Average mass408.432 Da
  • Monoisotopic mass408.182465 Da
  • ChemSpider ID23061544

More details:

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

1-[2-(2-Fluorophenyl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-[2-(2-Fluorophényl)éthyl]-5-(2-{[3-(trifluorométhyl)benzyl]amino}éthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-[2-(2-Fluorphenyl)ethyl]-5-(2-{[3-(trifluormethyl)benzyl]amino}ethyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[2-(2-fluorophenyl)ethyl]-5-[2-[[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]- [ACD/Index Name]
1-[2-(2-FLUOROPHENYL)ETHYL]-5-[2-({[3-(TRIFLUOROMETHYL)PHENYL]METHYL}AMINO)ETHYL]PYRROLIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.2±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 6.85
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 43.82
ACD/KOC (pH 7.4): 207.81
Polar Surface Area: 32 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 335.9±3.0 cm3

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