ChemSpider 2D Image | 5-(Difluoromethyl)-2-fluoro-3-thiophenecarboxylic acid | C6H3F3O2S

5-(Difluoromethyl)-2-fluoro-3-thiophenecarboxylic acid

  • Molecular FormulaC6H3F3O2S
  • Average mass196.147 Da
  • Monoisotopic mass195.980591 Da
  • ChemSpider ID71089621

More details:

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

3-Thiophenecarboxylic acid, 5-(difluoromethyl)-2-fluoro- [ACD/Index Name]
5-(Difluormethyl)-2-fluor-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(Difluoromethyl)-2-fluoro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-(difluorométhyl)-2-fluoro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
2248395-87-9 [RN]
5-(difluoromethyl)-2-fluorothiophene-3-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 284.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 126.1±27.3 °C
Index of Refraction: 1.507
Molar Refractivity: 36.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.65
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 123.6±3.0 cm3

Click to predict properties on the Chemicalize site


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