ChemSpider 2D Image | 2-Oxo-2-{[(2,2,2-trifluoroethyl)carbamoyl]amino}ethyl 6-(2,2,2-trifluoroethoxy)nicotinate | C13H11F6N3O5

2-Oxo-2-{[(2,2,2-trifluoroethyl)carbamoyl]amino}ethyl 6-(2,2,2-trifluoroethoxy)nicotinate

  • Molecular FormulaC13H11F6N3O5
  • Average mass403.234 Da
  • Monoisotopic mass403.060303 Da
  • ChemSpider ID70766446

More details:

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

2-Oxo-2-{[(2,2,2-trifluorethyl)carbamoyl]amino}ethyl-6-(2,2,2-trifluorethoxy)nicotinat [German] [ACD/IUPAC Name]
2-Oxo-2-{[(2,2,2-trifluoroethyl)carbamoyl]amino}ethyl 6-(2,2,2-trifluoroethoxy)nicotinate [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 6-(2,2,2-trifluoroethoxy)-, 2-oxo-2-[[[(2,2,2-trifluoroethyl)amino]carbonyl]amino]ethyl ester [ACD/Index Name]
6-(2,2,2-Trifluoroéthoxy)nicotinate de 2-oxo-2-{[(2,2,2-trifluoroéthyl)carbamoyl]amino}éthyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.458
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.18
ACD/KOC (pH 5.5): 480.69
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.07
ACD/KOC (pH 7.4): 467.14
Polar Surface Area: 107 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

Click to predict properties on the Chemicalize site


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