ChemSpider 2D Image | methyl 2-cyano-3-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}acrylate | C21H15F3N2O2

methyl 2-cyano-3-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}acrylate

  • Molecular FormulaC21H15F3N2O2
  • Average mass384.351 Da
  • Monoisotopic mass384.108551 Da
  • ChemSpider ID35414216

More details:

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

2-Cyano-3-{1-[3-(trifluorométhyl)benzyl]-1H-indol-3-yl}acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-[1-[[3-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]-, methyl ester [ACD/Index Name]
methyl 2-cyano-3-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}acrylate [ACD/IUPAC Name]
Methyl-2-cyan-3-{1-[3-(trifluormethyl)benzyl]-1H-indol-3-yl}acrylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.2±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4347.64
ACD/KOC (pH 5.5): 13991.21
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4347.64
ACD/KOC (pH 7.4): 13991.21
Polar Surface Area: 55 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 309.5±7.0 cm3

Click to predict properties on the Chemicalize site


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