ChemSpider 2D Image | (5R)-5-(4-Fluorophenyl)-3-(phenylethynyl)-2-cyclohexen-1-one | C20H15FO

(5R)-5-(4-Fluorophenyl)-3-(phenylethynyl)-2-cyclohexen-1-one

  • Molecular FormulaC20H15FO
  • Average mass290.331 Da
  • Monoisotopic mass290.110687 Da
  • ChemSpider ID26645679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-5-(4-Fluorophenyl)-3-(phenylethynyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(5R)-5-(4-Fluorophényl)-3-(phényléthynyl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
(5R)-5-(4-Fluorphenyl)-3-(phenylethinyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 5-(4-fluorophenyl)-3-(2-phenylethynyl)-, (5R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 209.8±19.0 °C
Index of Refraction: 1.617
Molar Refractivity: 84.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2323.65
ACD/KOC (pH 5.5): 8935.14
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2323.65
ACD/KOC (pH 7.4): 8935.14
Polar Surface Area: 17 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 241.0±5.0 cm3

Click to predict properties on the Chemicalize site


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