ChemSpider 2D Image | 2-(4-Biphenylyl)-1-[3-(4-fluorophenyl)-1-azepanyl]ethanone | C26H26FNO

2-(4-Biphenylyl)-1-[3-(4-fluorophenyl)-1-azepanyl]ethanone

  • Molecular FormulaC26H26FNO
  • Average mass387.489 Da
  • Monoisotopic mass387.199829 Da
  • ChemSpider ID58476938

More details:

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

2-(4-Biphenylyl)-1-[3-(4-fluorophenyl)-1-azepanyl]ethanone [ACD/IUPAC Name]
2-(4-Biphénylyl)-1-[3-(4-fluorophényl)-1-azépanyl]éthanone [French] [ACD/IUPAC Name]
2-(4-Biphenylyl)-1-[3-(4-fluorphenyl)-1-azepanyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[1,1'-biphenyl]-4-yl-1-[3-(4-fluorophenyl)hexahydro-1H-azepin-1-yl]- [ACD/Index Name]
2-([1,1'-biphenyl]-4-yl)-1-(3-(4-fluorophenyl)azepan-1-yl)ethanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6966.39
ACD/KOC (pH 5.5): 19607.24
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6966.40
ACD/KOC (pH 7.4): 19607.24
Polar Surface Area: 20 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 340.9±3.0 cm3

Click to predict properties on the Chemicalize site


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