ChemSpider 2D Image | 3-(4-Fluorophenyl)-5-isopropoxy-5-methyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone | C21H21FO5S

3-(4-Fluorophenyl)-5-isopropoxy-5-methyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

  • Molecular FormulaC21H21FO5S
  • Average mass404.452 Da
  • Monoisotopic mass404.109375 Da
  • ChemSpider ID14015874

More details:

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

2(5H)-Furanone, 3-(4-fluorophenyl)-5-methyl-5-(1-methylethoxy)-4-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
3-(4-Fluorophenyl)-5-isopropoxy-5-methyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone [ACD/IUPAC Name]
3-(4-Fluorophényl)-5-isopropoxy-5-méthyl-4-[4-(méthylsulfonyl)phényl]-2(5H)-furanone [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-5-isopropoxy-5-methyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
3-(4-Fluoro-phenyl)-5-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
3-(4-fluorophenyl)-5-methyl-4-[4-(methylsulfonyl)phenyl]-5-(propan-2-yloxy)furan-2(5H)-one
CHEMBL18089

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 103.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.15
ACD/KOC (pH 5.5): 444.78
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.15
ACD/KOC (pH 7.4): 444.78
Polar Surface Area: 78 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 305.0±5.0 cm3

Click to predict properties on the Chemicalize site


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