ChemSpider 2D Image | 3-Amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide | C13H12F4N2OS

3-Amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC13H12F4N2OS
  • Average mass320.306 Da
  • Monoisotopic mass320.060638 Da
  • ChemSpider ID52181910

More details:

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

3-Amino-N-ethyl-4-fluor-N-(2,2,2-trifluorethyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Amino-N-éthyl-4-fluoro-N-(2,2,2-trifluoroéthyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 3-amino-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)- [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: 438.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 219.0±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 235.24
ACD/KOC (pH 5.5): 1717.01
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.58
ACD/KOC (pH 7.4): 1777.91
Polar Surface Area: 75 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 224.2±3.0 cm3

Click to predict properties on the Chemicalize site


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