ChemSpider 2D Image | 3-(Trifluoromethyl)phenyl 5-(acetamidomethyl)-2-thiophenesulfonate | C14H12F3NO4S2

3-(Trifluoromethyl)phenyl 5-(acetamidomethyl)-2-thiophenesulfonate

  • Molecular FormulaC14H12F3NO4S2
  • Average mass379.375 Da
  • Monoisotopic mass379.015991 Da
  • ChemSpider ID22290824

More details:

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

2-Thiophenesulfonic acid, 5-[(acetylamino)methyl]-, 3-(trifluoromethyl)phenyl ester [ACD/Index Name]
3-(Trifluormethyl)phenyl-5-(acetamidomethyl)-2-thiophensulfonat [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)phenyl 5-(acetamidomethyl)-2-thiophenesulfonate [ACD/IUPAC Name]
5-(Acétamidométhyl)-2-thiophènesulfonate de 3-(trifluorométhyl)phényle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 562.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 55.18
ACD/KOC (pH 5.5): 614.33
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.18
ACD/KOC (pH 7.4): 614.33
Polar Surface Area: 109 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 261.3±3.0 cm3

Click to predict properties on the Chemicalize site


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