ChemSpider 2D Image | 3-{4-[3-(4-Fluorophenyl)-2-propyn-1-yl]-1-piperazinyl}-1-(2,2,2-trifluoroethyl)-2-piperidinone | C20H23F4N3O

3-{4-[3-(4-Fluorophenyl)-2-propyn-1-yl]-1-piperazinyl}-1-(2,2,2-trifluoroethyl)-2-piperidinone

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID30422913

More details:

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

2-Piperidinone, 3-[4-[3-(4-fluorophenyl)-2-propyn-1-yl]-1-piperazinyl]-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
3-{4-[3-(4-Fluorophenyl)-2-propyn-1-yl]-1-piperazinyl}-1-(2,2,2-trifluoroethyl)-2-piperidinone [ACD/IUPAC Name]
3-{4-[3-(4-Fluorophényl)-2-propyn-1-yl]-1-pipérazinyl}-1-(2,2,2-trifluoroéthyl)-2-pipéridinone [French] [ACD/IUPAC Name]
3-{4-[3-(4-Fluorphenyl)-2-propin-1-yl]-1-piperazinyl}-1-(2,2,2-trifluorethyl)-2-piperidinon [German] [ACD/IUPAC 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: 484.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.7±28.7 °C
Index of Refraction: 1.561
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 58.68
ACD/KOC (pH 5.5): 515.27
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.31
ACD/KOC (pH 7.4): 1100.37
Polar Surface Area: 27 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 48.5±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

Click to predict properties on the Chemicalize site


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