ChemSpider 2D Image | 4-{[(2-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]amino}butanoic acid | C13H16F3N3O4

4-{[(2-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]amino}butanoic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID57889507

More details:

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

4-{[(2-{[5-(Trifluormethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]amino}butansäure [German] [ACD/IUPAC Name]
4-{[(2-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]amino}butanoic acid [ACD/IUPAC Name]
Acide 4-{[(2-{[5-(trifluorométhyl)-2-pyridinyl]oxy}éthyl)carbamoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]amino]carbonyl]amino]- [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: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.496
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 248.6±3.0 cm3

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