ChemSpider 2D Image | 3-{[(1,1,1-Trifluoro-2-propanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid | C13H11F3O3S

3-{[(1,1,1-Trifluoro-2-propanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC13H11F3O3S
  • Average mass304.285 Da
  • Monoisotopic mass304.038086 Da
  • ChemSpider ID49339969

More details:

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

3-{[(1,1,1-Trifluor-2-propanyl)oxy]methyl}-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-{[(1,1,1-Trifluoro-2-propanyl)oxy]methyl}-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-{[(1,1,1-trifluoro-2-propanyl)oxy]méthyl}-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[(2,2,2-trifluoro-1-methylethoxy)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 400.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 196.2±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 10.36
ACD/KOC (pH 5.5): 48.33
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.46
Polar Surface Area: 75 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 214.5±3.0 cm3

Click to predict properties on the Chemicalize site


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