ChemSpider 2D Image | 2,2,2-Trifluoroethyl [3-({1-[(3,4-dimethoxyphenyl)amino]-1-oxo-2-propanyl}oxy)-2-pyridinyl]carbamate | C19H20F3N3O6

2,2,2-Trifluoroethyl [3-({1-[(3,4-dimethoxyphenyl)amino]-1-oxo-2-propanyl}oxy)-2-pyridinyl]carbamate

  • Molecular FormulaC19H20F3N3O6
  • Average mass443.374 Da
  • Monoisotopic mass443.130432 Da
  • ChemSpider ID66142716

More details:

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

[3-({1-[(3,4-Diméthoxyphényl)amino]-1-oxo-2-propanyl}oxy)-2-pyridinyl]carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-[3-({1-[(3,4-dimethoxyphenyl)amino]-1-oxo-2-propanyl}oxy)-2-pyridinyl]carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl [3-({1-[(3,4-dimethoxyphenyl)amino]-1-oxo-2-propanyl}oxy)-2-pyridinyl]carbamate [ACD/IUPAC Name]
Carbamic acid, N-[3-[2-[(3,4-dimethoxyphenyl)amino]-1-methyl-2-oxoethoxy]-2-pyridinyl]-, 2,2,2-trifluoroethyl ester [ACD/Index 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: 553.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 103.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.08
ACD/KOC (pH 5.5): 779.40
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.35
ACD/KOC (pH 7.4): 782.18
Polar Surface Area: 108 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 321.4±3.0 cm3

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