ChemSpider 2D Image | Benzyl 3-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]amino}bicyclo[2.2.1]heptane-2-carboxylate | C22H29F3N2O2

Benzyl 3-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]amino}bicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC22H29F3N2O2
  • Average mass410.473 Da
  • Monoisotopic mass410.218109 Da
  • ChemSpider ID73313647

More details:

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

3-{[1-(2,2,2-Trifluoroéthyl)-4-pipéridinyl]amino}bicyclo[2.2.1]heptane-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 3-{[1-(2,2,2-trifluoroethyl)-4-piperidinyl]amino}bicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
Benzyl-3-{[1-(2,2,2-trifluorethyl)-4-piperidinyl]amino}bicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-2-carboxylic acid, 3-[[1-(2,2,2-trifluoroethyl)-4-piperidinyl]amino]-, phenylmethyl ester [ACD/Index 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: 459.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 14.00
ACD/KOC (pH 7.4): 66.74
Polar Surface Area: 42 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 330.7±5.0 cm3

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