ChemSpider 2D Image | (2Z)-2-(Hydroxymethylene)-5-(trifluoromethyl)-3(2H)-thiophenone | C6H3F3O2S

(2Z)-2-(Hydroxymethylene)-5-(trifluoromethyl)-3(2H)-thiophenone

  • Molecular FormulaC6H3F3O2S
  • Average mass196.147 Da
  • Monoisotopic mass195.980591 Da
  • ChemSpider ID61175379

More details:

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

(2Z)-2-(Hydroxymethylen)-5-(trifluormethyl)-3(2H)-thiophenon [German] [ACD/IUPAC Name]
(2Z)-2-(Hydroxymethylene)-5-(trifluoromethyl)-3(2H)-thiophenone [ACD/IUPAC Name]
(2Z)-2-(Hydroxyméthylène)-5-(trifluorométhyl)-3(2H)-thiophénone [French] [ACD/IUPAC Name]
3(2H)-Thiophenone, 2-(hydroxymethylene)-5-(trifluoromethyl)-, (2Z)- [ACD/Index Name]
1937350-51-0 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 191.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.8±6.0 kJ/mol
Flash Point: 69.8±27.3 °C
Index of Refraction: 1.646
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 107.3±3.0 cm3

Click to predict properties on the Chemicalize site


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