ChemSpider 2D Image | Ethyl 4-oxo-4-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1-piperidinyl)butanoate | C17H21F3N2O4

Ethyl 4-oxo-4-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1-piperidinyl)butanoate

  • Molecular FormulaC17H21F3N2O4
  • Average mass374.355 Da
  • Monoisotopic mass374.145355 Da
  • ChemSpider ID30751846

More details:

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

1-Piperidinebutanoic acid, γ-oxo-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-, ethyl ester [ACD/Index Name]
4-Oxo-4-(4-{[5-(trifluorométhyl)-2-pyridinyl]oxy}-1-pipéridinyl)butanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-oxo-4-(4-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1-piperidinyl)butanoate [ACD/IUPAC Name]
Ethyl-4-oxo-4-(4-{[5-(trifluormethyl)-2-pyridinyl]oxy}-1-piperidinyl)butanoat [German] [ACD/IUPAC Name]
1421443-14-2 [RN]
ethyl 4-oxo-4-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)butanoate
ETHYL 4-OXO-4-(4-{[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]OXY}PIPERIDIN-1-YL)BUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.492
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.25
ACD/KOC (pH 5.5): 968.56
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.25
ACD/KOC (pH 7.4): 968.63
Polar Surface Area: 69 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

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