ChemSpider 2D Image | 5-[2-Fluoro-6-(2-hydroxyethoxy)phenyl]-3-methyl-1-[4-(trifluoromethoxy)benzyl]-2-pyrrolidinone | C21H21F4NO4

5-[2-Fluoro-6-(2-hydroxyethoxy)phenyl]-3-methyl-1-[4-(trifluoromethoxy)benzyl]-2-pyrrolidinone

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID61749274

More details:

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

2-Pyrrolidinone, 5-[2-fluoro-6-(2-hydroxyethoxy)phenyl]-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
5-[2-Fluor-6-(2-hydroxyethoxy)phenyl]-3-methyl-1-[4-(trifluormethoxy)benzyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-[2-Fluoro-6-(2-hydroxyethoxy)phenyl]-3-methyl-1-[4-(trifluoromethoxy)benzyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-[2-Fluoro-6-(2-hydroxyéthoxy)phényl]-3-méthyl-1-[4-(trifluorométhoxy)benzyl]-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: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.7±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 402.77
ACD/KOC (pH 5.5): 2548.62
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 402.77
ACD/KOC (pH 7.4): 2548.62
Polar Surface Area: 59 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

Click to predict properties on the Chemicalize site


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