ChemSpider 2D Image | 4,4-Difluoro-1-(4-fluoro-2-thienyl)-1,3-butanedione | C8H5F3O2S

4,4-Difluoro-1-(4-fluoro-2-thienyl)-1,3-butanedione

  • Molecular FormulaC8H5F3O2S
  • Average mass222.184 Da
  • Monoisotopic mass221.996231 Da
  • ChemSpider ID32865311

More details:

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

1,3-Butanedione, 4,4-difluoro-1-(4-fluoro-2-thienyl)- [ACD/Index Name]
4,4-Difluor-1-(4-fluor-2-thienyl)-1,3-butandion [German] [ACD/IUPAC Name]
4,4-Difluoro-1-(4-fluoro-2-thienyl)-1,3-butanedione [ACD/IUPAC Name]
4,4-Difluoro-1-(4-fluoro-2-thiényl)-1,3-butanedione [French] [ACD/IUPAC Name]
1-(2-Thenoyl)-3,3,4-trifluoroacetone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 309.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 140.8±26.5 °C
Index of Refraction: 1.479
Molar Refractivity: 44.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 19.03
ACD/KOC (pH 5.5): 266.36
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 15.07
Polar Surface Area: 62 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 156.1±3.0 cm3

Click to predict properties on the Chemicalize site


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