ChemSpider 2D Image | 2-[(E)-2-(4-Fluorophenyl)vinyl]-3-[4-(methylsulfonyl)phenyl]-2-cyclopenten-1-one | C20H17FO3S

2-[(E)-2-(4-Fluorophenyl)vinyl]-3-[4-(methylsulfonyl)phenyl]-2-cyclopenten-1-one

  • Molecular FormulaC20H17FO3S
  • Average mass356.411 Da
  • Monoisotopic mass356.088257 Da
  • ChemSpider ID34973090

More details:

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

2-[(E)-2-(4-Fluorophenyl)vinyl]-3-[4-(methylsulfonyl)phenyl]-2-cyclopenten-1-one [ACD/IUPAC Name]
2-[(E)-2-(4-Fluorophényl)vinyl]-3-[4-(méthylsulfonyl)phényl]-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-[(E)-2-(4-Fluorphenyl)vinyl]-3-[4-(methylsulfonyl)phenyl]-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
CHEMBL23556

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

Density: 1.4±0.1 g/cm3
Boiling Point: 538.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 279.5±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.34
ACD/KOC (pH 5.5): 1054.18
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.34
ACD/KOC (pH 7.4): 1054.18
Polar Surface Area: 60 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

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