ChemSpider 2D Image | 5-(2,6-Dimethoxyphenyl)-1-[3-fluoro-4-(trifluoromethoxy)benzyl]-3-methyl-2-pyrrolidinone | C21H21F4NO4

5-(2,6-Dimethoxyphenyl)-1-[3-fluoro-4-(trifluoromethoxy)benzyl]-3-methyl-2-pyrrolidinone

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID61749260

More details:

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

2-Pyrrolidinone, 5-(2,6-dimethoxyphenyl)-1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-methyl- [ACD/Index Name]
5-(2,6-Dimethoxyphenyl)-1-[3-fluor-4-(trifluormethoxy)benzyl]-3-methyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-(2,6-Dimethoxyphenyl)-1-[3-fluoro-4-(trifluoromethoxy)benzyl]-3-methyl-2-pyrrolidinone [ACD/IUPAC Name]
5-(2,6-Diméthoxyphényl)-1-[3-fluoro-4-(trifluorométhoxy)benzyl]-3-méthyl-2-pyrrolidinone [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: 498.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 731.19
ACD/KOC (pH 5.5): 3905.49
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 731.19
ACD/KOC (pH 7.4): 3905.49
Polar Surface Area: 48 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement