ChemSpider 2D Image | [5-(Methoxycarbonyl)-4-methyl-2-furyl]methyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate | C20H21F3N2O5

[5-(Methoxycarbonyl)-4-methyl-2-furyl]methyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate

  • Molecular FormulaC20H21F3N2O5
  • Average mass426.386 Da
  • Monoisotopic mass426.140259 Da
  • ChemSpider ID22809445

More details:

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

[5-(Methoxycarbonyl)-4-methyl-2-furyl]methyl 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
[5-(Methoxycarbonyl)-4-methyl-2-furyl]methyl-1-[5-(trifluormethyl)-2-pyridinyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[5-(Trifluorométhyl)-2-pyridinyl]-4-pipéridinecarboxylate de [5-(méthoxycarbonyl)-4-méthyl-2-furyl]méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[5-(trifluoromethyl)-2-pyridinyl]-, [5-(methoxycarbonyl)-4-methyl-2-furanyl]methyl ester [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: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 144.02
ACD/KOC (pH 5.5): 721.94
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 855.60
ACD/KOC (pH 7.4): 4288.90
Polar Surface Area: 82 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 323.7±3.0 cm3

Click to predict properties on the Chemicalize site


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