ChemSpider 2D Image | 2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl 3-[(ethoxycarbonyl)amino]benzoate | C20H21F3N2O5

2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl 3-[(ethoxycarbonyl)amino]benzoate

  • Molecular FormulaC20H21F3N2O5
  • Average mass426.386 Da
  • Monoisotopic mass426.140259 Da
  • ChemSpider ID21987063

More details:

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

2-[2,5-Dimethyl-1-(2,2,2-trifluorethyl)-1H-pyrrol-3-yl]-2-oxoethyl-3-[(ethoxycarbonyl)amino]benzoat [German] [ACD/IUPAC Name]
2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl 3-[(ethoxycarbonyl)amino]benzoate [ACD/IUPAC Name]
3-[(Éthoxycarbonyl)amino]benzoate de 2-[2,5-diméthyl-1-(2,2,2-trifluoroéthyl)-1H-pyrrol-3-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(ethoxycarbonyl)amino]-, 2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl ester [ACD/Index 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: 520.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.4±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 506.92
ACD/KOC (pH 5.5): 3004.71
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 506.92
ACD/KOC (pH 7.4): 3004.70
Polar Surface Area: 87 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 38.4±7.0 dyne/cm
Molar Volume: 329.1±7.0 cm3

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