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ChemSpider 2D Image | Methyl 3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate | C13H12F3NO2

Methyl 3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate

  • Molecular FormulaC13H12F3NO2
  • Average mass271.235 Da
  • Monoisotopic mass271.082001 Da
  • ChemSpider ID28474787

More details:

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

1H-Indole-3-propanoic acid, 2-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-[2-(Trifluorométhyl)-1H-indol-3-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[2-(trifluormethyl)-1H-indol-3-yl]propanoat [German] [ACD/IUPAC Name]
1161005-04-4 [RN]
Methyl 3-(2-(trifluoromethyl)-1H-indol-3-yl)propanoate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-07845]
    • Safety:

      20/21/22 Novochemy [NC-07845]
      20/21/36/37/39 Novochemy [NC-07845]
      GHS07; GHS09 Novochemy [NC-07845]
      H332; H403 Novochemy [NC-07845]
      P301+P310; P337+P313 Novochemy [NC-07845]
      Warning Novochemy [NC-07845]
      Xn Novochemy [NC-07845]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 348.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.3±3.0 kJ/mol
Flash Point: 164.4±26.5 °C
Index of Refraction: 1.539
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.48
ACD/KOC (pH 5.5): 1241.60
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.48
ACD/KOC (pH 7.4): 1241.60
Polar Surface Area: 42 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 204.7±3.0 cm3

Click to predict properties on the Chemicalize site