ChemSpider 2D Image | Ethyl 1-[4-(methoxycarbonyl)benzyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate | C25H28F3NO4

Ethyl 1-[4-(methoxycarbonyl)benzyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate

  • Molecular FormulaC25H28F3NO4
  • Average mass463.489 Da
  • Monoisotopic mass463.197052 Da
  • ChemSpider ID22109780

More details:

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

1-[4-(Méthoxycarbonyl)benzyl]-4-[3-(trifluorométhyl)benzyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[4-(methoxycarbonyl)phenyl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[4-(methoxycarbonyl)benzyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[4-(methoxycarbonyl)benzyl]-4-[3-(trifluormethyl)benzyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.9±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 133.05
ACD/KOC (pH 5.5): 387.27
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 3882.23
ACD/KOC (pH 7.4): 11300.18
Polar Surface Area: 56 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 378.1±3.0 cm3

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