ChemSpider 2D Image | 1-[3-(4-Fluorophenyl)-1-azepanyl]-3-(4-methoxyphenyl)-1-propanone | C22H26FNO2

1-[3-(4-Fluorophenyl)-1-azepanyl]-3-(4-methoxyphenyl)-1-propanone

  • Molecular FormulaC22H26FNO2
  • Average mass355.446 Da
  • Monoisotopic mass355.194763 Da
  • ChemSpider ID30754146

More details:

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

1-[3-(4-Fluorophenyl)-1-azepanyl]-3-(4-methoxyphenyl)-1-propanone [ACD/IUPAC Name]
1-[3-(4-Fluorophényl)-1-azépanyl]-3-(4-méthoxyphényl)-1-propanone [French] [ACD/IUPAC Name]
1-[3-(4-Fluorphenyl)-1-azepanyl]-3-(4-methoxyphenyl)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[3-(4-fluorophenyl)hexahydro-1H-azepin-1-yl]-3-(4-methoxyphenyl)- [ACD/Index Name]
1-(3-(4-fluorophenyl)azepan-1-yl)-3-(4-methoxyphenyl)propan-1-one
1-[3-(4-fluorophenyl)azepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
1797960-63-4 [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: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.7±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1747.07
ACD/KOC (pH 5.5): 7285.24
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1747.07
ACD/KOC (pH 7.4): 7285.25
Polar Surface Area: 30 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 316.1±3.0 cm3

Click to predict properties on the Chemicalize site


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