ChemSpider 2D Image | Ethyl 3-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylate | C13H12F3NO2

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

  • Molecular FormulaC13H12F3NO2
  • Average mass271.235 Da
  • Monoisotopic mass271.082001 Da
  • ChemSpider ID38238244

More details:






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

1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
3-Méthyl-5-(trifluorométhyl)-1H-indole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylate [ACD/IUPAC Name]
Ethyl-3-methyl-5-(trifluormethyl)-1H-indol-2-carboxylat [German] [ACD/IUPAC Name]
1004758-61-5 [RN]
MFCD20230469

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 351.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 166.4±26.5 °C
Index of Refraction: 1.541
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 776.76
ACD/KOC (pH 5.5): 4078.20
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 776.76
ACD/KOC (pH 7.4): 4078.20
Polar Surface Area: 42 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 206.1±3.0 cm3

Click to predict properties on the Chemicalize site






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