ChemSpider 2D Image | 1-{2-[(4-Fluorophenyl)(phenyl)methoxy]ethyl}-4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]piperazine | C28H30F2N2O

1-{2-[(4-Fluorophenyl)(phenyl)methoxy]ethyl}-4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]piperazine

  • Molecular FormulaC28H30F2N2O
  • Average mass448.547 Da
  • Monoisotopic mass448.232605 Da
  • ChemSpider ID23136512
  • Double-bond stereo - Double-bond stereo


More details:






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

1-{2-[(4-Fluorophenyl)(phenyl)methoxy]ethyl}-4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]piperazine [ACD/IUPAC Name]
1-{2-[(4-Fluorophényl)(phényl)méthoxy]éthyl}-4-[(2E)-3-(4-fluorophényl)-2-propén-1-yl]pipérazine [French] [ACD/IUPAC Name]
1-{2-[(4-Fluorphenyl)(phenyl)methoxy]ethyl}-4-[(2E)-3-(4-fluorphenyl)-2-propen-1-yl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[2-[(4-fluorophenyl)phenylmethoxy]ethyl]-4-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]- [ACD/Index Name]
1-[3-(4-Fluoro-phenyl)-allyl]-4-{2-[(4-fluoro-phenyl)-phenyl-methoxy]-ethyl}-piperazine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 551.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±30.1 °C
Index of Refraction: 1.586
Molar Refractivity: 130.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 172.89
ACD/KOC (pH 5.5): 548.85
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3441.30
ACD/KOC (pH 7.4): 10924.69
Polar Surface Area: 16 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 388.4±3.0 cm3

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