ChemSpider 2D Image | 1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-1-piperazinyl)-3-phenylacetone | C28H30F2N2O2

1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-1-piperazinyl)-3-phenylacetone

  • Molecular FormulaC28H30F2N2O2
  • Average mass464.547 Da
  • Monoisotopic mass464.227539 Da
  • ChemSpider ID15022847

More details:

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

1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-1-piperazinyl)-3-phenylacetone [ACD/IUPAC Name]
1-(4-{2-[Bis(4-fluorophényl)méthoxy]éthyl}-1-pipérazinyl)-3-phénylacétone [French] [ACD/IUPAC Name]
1-(4-{2-[Bis(4-fluorphenyl)methoxy]ethyl}-1-piperazinyl)-3-phenylaceton [German] [ACD/IUPAC Name]
2-Propanone, 1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-piperazinyl]-3-phenyl- [ACD/Index Name]
GBR 12935 Analogue, 17
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511950/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.5±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 250.79
ACD/KOC (pH 5.5): 918.66
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2446.24
ACD/KOC (pH 7.4): 8960.95
Polar Surface Area: 33 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 393.9±3.0 cm3

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