ChemSpider 2D Image | 1-[3-(4-Fluorophenyl)-1-azepanyl]-4-phenyl-1-butanone | C22H26FNO

1-[3-(4-Fluorophenyl)-1-azepanyl]-4-phenyl-1-butanone

  • Molecular FormulaC22H26FNO
  • Average mass339.446 Da
  • Monoisotopic mass339.199829 Da
  • ChemSpider ID32690531

More details:

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

1-[3-(4-Fluorophenyl)-1-azepanyl]-4-phenyl-1-butanone [ACD/IUPAC Name]
1-[3-(4-Fluorophényl)-1-azépanyl]-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-[3-(4-Fluorphenyl)-1-azepanyl]-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-Butanone, 1-[3-(4-fluorophenyl)hexahydro-1H-azepin-1-yl]-4-phenyl- [ACD/Index Name]
1-(3-(4-fluorophenyl)azepan-1-yl)-4-phenylbutan-1-one
1-[3-(4-fluorophenyl)azepan-1-yl]-4-phenylbutan-1-one
1705815-53-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.8±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2845.52
ACD/KOC (pH 5.5): 10329.61
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2845.52
ACD/KOC (pH 7.4): 10329.61
Polar Surface Area: 20 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

Click to predict properties on the Chemicalize site


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