ChemSpider 2D Image | (3E,5R)-5-Fluoro-6-(2-fluorophenyl)-2,6-dioxo-3-hexenoic acid | C12H8F2O4

(3E,5R)-5-Fluoro-6-(2-fluorophenyl)-2,6-dioxo-3-hexenoic acid

  • Molecular FormulaC12H8F2O4
  • Average mass254.186 Da
  • Monoisotopic mass254.039063 Da
  • ChemSpider ID35033806

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E,5R)-5-Fluor-6-(2-fluorphenyl)-2,6-dioxo-3-hexensäure [German] [ACD/IUPAC Name]
(3E,5R)-5-Fluoro-6-(2-fluorophenyl)-2,6-dioxo-3-hexenoic acid [ACD/IUPAC Name]
(3e,5r)-5-Fluoro-6-(2-Fluorophenyl)-2,6-Dioxohex-3-Enoic Acid
3-Hexenoic acid, 5-fluoro-6-(2-fluorophenyl)-2,6-dioxo-, (3E,5R)- [ACD/Index Name]
Acide (3E,5R)-5-fluoro-6-(2-fluorophényl)-2,6-dioxo-3-hexénoïque [French] [ACD/IUPAC Name]
22J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 423.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 210.0±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -2.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 182.4±3.0 cm3

Click to predict properties on the Chemicalize site


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