ChemSpider 2D Image | Ethyl 5-methoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate | C13H12F3NO3

Ethyl 5-methoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate

  • Molecular FormulaC13H12F3NO3
  • Average mass287.234 Da
  • Monoisotopic mass287.076935 Da
  • ChemSpider ID30658361

More details:

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

1H-Indole-3-carboxylic acid, 5-methoxy-2-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
5-Méthoxy-2-(trifluorométhyl)-1H-indole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-methoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-methoxy-2-(trifluormethyl)-1H-indol-3-carboxylat [German] [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: 400.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 196.1±28.7 °C
Index of Refraction: 1.535
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 448.03
ACD/KOC (pH 5.5): 2750.48
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.03
ACD/KOC (pH 7.4): 2750.47
Polar Surface Area: 51 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 213.8±3.0 cm3

Click to predict properties on the Chemicalize site


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