ChemSpider 2D Image | 5-Methoxy-3-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)-1-benzothiophene-2-carboxamide | C15H16F3NO3S

5-Methoxy-3-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC15H16F3NO3S
  • Average mass347.353 Da
  • Monoisotopic mass347.080292 Da
  • ChemSpider ID30466011

More details:

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

5-Methoxy-3-methyl-N-(4,4,4-trifluor-3-hydroxybutyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
5-Methoxy-3-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
5-Méthoxy-3-méthyl-N-(4,4,4-trifluoro-3-hydroxybutyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxamide, 5-methoxy-3-methyl-N-(4,4,4-trifluoro-3-hydroxybutyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.6±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.74
ACD/KOC (pH 5.5): 870.04
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.73
ACD/KOC (pH 7.4): 870.03
Polar Surface Area: 87 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 257.4±3.0 cm3

Click to predict properties on the Chemicalize site


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