ChemSpider 2D Image | Methyl 3,3,3-trifluoro-2-hydroxy-2-(2-thienyl)propanoate | C8H7F3O3S

Methyl 3,3,3-trifluoro-2-hydroxy-2-(2-thienyl)propanoate

  • Molecular FormulaC8H7F3O3S
  • Average mass240.200 Da
  • Monoisotopic mass240.006805 Da
  • ChemSpider ID21522042

More details:

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

2-Thiopheneacetic acid, α-hydroxy-α-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3,3,3-Trifluoro-2-hydroxy-2-(2-thiényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3,3,3-trifluoro-2-hydroxy-2-(2-thienyl)propanoate [ACD/IUPAC Name]
Methyl-3,3,3-trifluor-2-hydroxy-2-(2-thienyl)propanoat [German] [ACD/IUPAC Name]
126956-20-5 [RN]
97%
methyl 3,3,3-trifluoro-2-hydroxy-2-(thiophen-2-yl)propanoate
METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-THIEN-2-YLPROPANOATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 316.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 145.3±27.9 °C
Index of Refraction: 1.486
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.27
ACD/KOC (pH 5.5): 399.69
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.56
ACD/KOC (pH 7.4): 390.22
Polar Surface Area: 75 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 163.0±3.0 cm3

Click to predict properties on the Chemicalize site


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