ChemSpider 2D Image | (5Z)-5-[4-Hydroxy-3-(trifluoromethyl)benzylidene]-3-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyl]-1,3-thiazolidine-2,4-dione | C17H12F9NO3S

(5Z)-5-[4-Hydroxy-3-(trifluoromethyl)benzylidene]-3-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyl]-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC17H12F9NO3S
  • Average mass481.333 Da
  • Monoisotopic mass481.039429 Da
  • ChemSpider ID28516340

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-[4-Hydroxy-3-(trifluormethyl)benzyliden]-3-[4,4,4-trifluor-2-(2,2,2-trifluorethyl)butyl]-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
(5Z)-5-[4-Hydroxy-3-(trifluoromethyl)benzylidene]-3-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyl]-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
(5Z)-5-[4-Hydroxy-3-(trifluorométhyl)benzylidène]-3-[4,4,4-trifluoro-2-(2,2,2-trifluoroéthyl)butyl]-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
2,4-Thiazolidinedione, 5-[[4-hydroxy-3-(trifluoromethyl)phenyl]methylene]-3-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyl]-, (5Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 438.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 218.9±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1564.27
ACD/KOC (pH 5.5): 6617.96
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 283.06
ACD/KOC (pH 7.4): 1197.56
Polar Surface Area: 83 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


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