ChemSpider 2D Image | 1-[3-(4-Fluorophenyl)-1-azepanyl]-2,2-diphenylethanone | C26H26FNO

1-[3-(4-Fluorophenyl)-1-azepanyl]-2,2-diphenylethanone

  • Molecular FormulaC26H26FNO
  • Average mass387.489 Da
  • Monoisotopic mass387.199829 Da
  • ChemSpider ID58475810

More details:

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

1-[3-(4-Fluorophenyl)-1-azepanyl]-2,2-diphenylethanone [ACD/IUPAC Name]
1-[3-(4-Fluorophényl)-1-azépanyl]-2,2-diphényléthanone [French] [ACD/IUPAC Name]
1-[3-(4-Fluorphenyl)-1-azepanyl]-2,2-diphenylethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[3-(4-fluorophenyl)hexahydro-1H-azepin-1-yl]-2,2-diphenyl- [ACD/Index Name]
1-(3-(4-fluorophenyl)azepan-1-yl)-2,2-diphenylethanone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 289.1±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11132.23
ACD/KOC (pH 5.5): 27424.12
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11132.23
ACD/KOC (pH 7.4): 27424.12
Polar Surface Area: 20 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 339.4±3.0 cm3

Click to predict properties on the Chemicalize site


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