ChemSpider 2D Image | 3-Methyl-N-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}-2-thiophenecarboxamide | C16H12F3NOS

3-Methyl-N-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}-2-thiophenecarboxamide

  • Molecular FormulaC16H12F3NOS
  • Average mass323.333 Da
  • Monoisotopic mass323.059174 Da
  • ChemSpider ID22814236

More details:

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

2-Thiophenecarboxamide, 3-methyl-N-[3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl]- [ACD/Index Name]
3-Methyl-N-{3-[3-(trifluormethyl)phenyl]-2-propin-1-yl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
3-Methyl-N-{3-[3-(trifluoromethyl)phenyl]-2-propyn-1-yl}-2-thiophenecarboxamide [ACD/IUPAC Name]
3-Méthyl-N-{3-[3-(trifluorométhyl)phényl]-2-propyn-1-yl}-2-thiophènecarboxamide [French] [ACD/IUPAC 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: 448.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 224.8±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 990.81
ACD/KOC (pH 5.5): 4854.35
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 990.81
ACD/KOC (pH 7.4): 4854.33
Polar Surface Area: 57 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

Click to predict properties on the Chemicalize site


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