ChemSpider 2D Image | 2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl 1-[4-(trifluoromethyl)benzoyl]-4-piperidinecarboxylate | C22H19ClF4N2O4

2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl 1-[4-(trifluoromethyl)benzoyl]-4-piperidinecarboxylate

  • Molecular FormulaC22H19ClF4N2O4
  • Average mass486.844 Da
  • Monoisotopic mass486.096954 Da
  • ChemSpider ID33128475

More details:






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

1-[4-(Trifluorométhyl)benzoyl]-4-pipéridinecarboxylate de 2-[(3-chloro-4-fluorophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(3-Chlor-4-fluorphenyl)amino]-2-oxoethyl-1-[4-(trifluormethyl)benzoyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
2-[(3-Chloro-4-fluorophenyl)amino]-2-oxoethyl 1-[4-(trifluoromethyl)benzoyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-(trifluoromethyl)benzoyl]-, 2-[(3-chloro-4-fluorophenyl)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: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±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: 4.08
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1070.41
ACD/KOC (pH 5.5): 5130.38
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1070.11
ACD/KOC (pH 7.4): 5128.98
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

Click to predict properties on the Chemicalize site






Advertisement