ChemSpider 2D Image | 1-[2-(2-Methoxyphenyl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone | C23H27F3N2O2

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

  • Molecular FormulaC23H27F3N2O2
  • Average mass420.468 Da
  • Monoisotopic mass420.202454 Da
  • ChemSpider ID22175713

More details:

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

1-[2-(2-Methoxyphenyl)ethyl]-5-(2-{[3-(trifluormethyl)benzyl]amino}ethyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-[2-(2-Methoxyphenyl)ethyl]-5-(2-{[3-(trifluoromethyl)benzyl]amino}ethyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-[2-(2-Méthoxyphényl)éthyl]-5-(2-{[3-(trifluorométhyl)benzyl]amino}éthyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[2-(2-methoxyphenyl)ethyl]-5-[2-[[[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]- [ACD/Index Name]
1-[2-(2-METHOXYPHENYL)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: 522.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.6±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 7.18
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 46.75
ACD/KOC (pH 7.4): 217.67
Polar Surface Area: 42 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 355.7±3.0 cm3

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