ChemSpider 2D Image | 2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 1-(4-fluorobenzoyl)-3-piperidinecarboxylate | C22H19ClF4N2O4

2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 1-(4-fluorobenzoyl)-3-piperidinecarboxylate

  • Molecular FormulaC22H19ClF4N2O4
  • Average mass486.844 Da
  • Monoisotopic mass486.096954 Da
  • ChemSpider ID33040881

More details:






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

1-(4-Fluorobenzoyl)-3-pipéridinecarboxylate de 2-{[4-chloro-2-(trifluorométhyl)phényl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[4-Chlor-2-(trifluormethyl)phenyl]amino}-2-oxoethyl-1-(4-fluorbenzoyl)-3-piperidincarboxylat [German] [ACD/IUPAC Name]
2-{[4-Chloro-2-(trifluoromethyl)phenyl]amino}-2-oxoethyl 1-(4-fluorobenzoyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-(4-fluorobenzoyl)-, 2-[[4-chloro-2-(trifluoromethyl)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 615.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.3±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 110.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.24
ACD/KOC (pH 5.5): 2172.48
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 322.16
ACD/KOC (pH 7.4): 2171.95
Polar Surface Area: 76 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

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