ChemSpider 2D Image | 2-{[1-(1,3-Benzodioxol-5-yl)ethyl]amino}-2-oxoethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylate | C20H21F3N2O5

2-{[1-(1,3-Benzodioxol-5-yl)ethyl]amino}-2-oxoethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylate

  • Molecular FormulaC20H21F3N2O5
  • Average mass426.386 Da
  • Monoisotopic mass426.140259 Da
  • ChemSpider ID22549493

More details:

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

1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-, 2-[[1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl ester [ACD/Index Name]
2,5-Diméthyl-1-(2,2,2-trifluoroéthyl)-1H-pyrrole-3-carboxylate de 2-{[1-(1,3-benzodioxol-5-yl)éthyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[1-(1,3-Benzodioxol-5-yl)ethyl]amino}-2-oxoethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
2-{[1-(1,3-Benzodioxol-5-yl)ethyl]amino}-2-oxoethyl-2,5-dimethyl-1-(2,2,2-trifluorethyl)-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.03
ACD/KOC (pH 5.5): 1801.31
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.03
ACD/KOC (pH 7.4): 1801.31
Polar Surface Area: 79 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 309.8±7.0 cm3

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