ChemSpider 2D Image | 1-{2-[(3-Fluorophenyl)(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine | C28H32F2N2O

1-{2-[(3-Fluorophenyl)(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine

  • Molecular FormulaC28H32F2N2O
  • Average mass450.563 Da
  • Monoisotopic mass450.248260 Da
  • ChemSpider ID23229484

More details:

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

1-{2-[(3-Fluorophenyl)(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine [ACD/IUPAC Name]
1-{2-[(3-Fluorophényl)(4-fluorophényl)méthoxy]éthyl}-4-(3-phénylpropyl)pipérazine [French] [ACD/IUPAC Name]
1-{2-[(3-Fluorphenyl)(4-fluorphenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[2-[(3-fluorophenyl)(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)- [ACD/Index Name]
1-{2-[(3-Fluoro-phenyl)-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperazine
CHEMBL415546

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

GBR-12909 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 104.07
ACD/KOC (pH 5.5): 249.26
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 4701.46
ACD/KOC (pH 7.4): 11260.46
Polar Surface Area: 16 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 396.8±3.0 cm3

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