ChemSpider 2D Image | 4-[({[3-(2,2,2-Trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)amino]butanoic acid | C13H16F3N3O4

4-[({[3-(2,2,2-Trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)amino]butanoic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID57896933

More details:

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

4-[({[3-(2,2,2-Trifluorethoxy)-4-pyridinyl]methyl}carbamoyl)amino]butansäure [German] [ACD/IUPAC Name]
4-[({[3-(2,2,2-Trifluoroethoxy)-4-pyridinyl]methyl}carbamoyl)amino]butanoic acid [ACD/IUPAC Name]
Acide 4-[({[3-(2,2,2-trifluoroéthoxy)-4-pyridinyl]méthyl}carbamoyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]amino]carbonyl]amino]- [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: 560.6±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: 292.8±30.1 °C
Index of Refraction: 1.501
Molar Refractivity: 73.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.84
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 247.8±3.0 cm3

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