ChemSpider 2D Image | 2-(4-Chlorophenoxy)-1-[3-(4-fluorophenyl)-1-azepanyl]-2-methyl-1-propanone | C22H25ClFNO2

2-(4-Chlorophenoxy)-1-[3-(4-fluorophenyl)-1-azepanyl]-2-methyl-1-propanone

  • Molecular FormulaC22H25ClFNO2
  • Average mass389.891 Da
  • Monoisotopic mass389.155792 Da
  • ChemSpider ID58398671

More details:

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

1-Propanone, 2-(4-chlorophenoxy)-1-[3-(4-fluorophenyl)hexahydro-1H-azepin-1-yl]-2-methyl- [ACD/Index Name]
2-(4-Chlorophenoxy)-1-[3-(4-fluorophenyl)-1-azepanyl]-2-methyl-1-propanone [ACD/IUPAC Name]
2-(4-Chlorophénoxy)-1-[3-(4-fluorophényl)-1-azépanyl]-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
2-(4-Chlorphenoxy)-1-[3-(4-fluorphenyl)-1-azepanyl]-2-methyl-1-propanon [German] [ACD/IUPAC Name]
2-(4-chlorophenoxy)-1-(3-(4-fluorophenyl)azepan-1-yl)-2-methylpropan-1-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.7±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 105.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6187.43
ACD/KOC (pH 5.5): 18011.72
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6187.44
ACD/KOC (pH 7.4): 18011.72
Polar Surface Area: 30 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 328.3±3.0 cm3

Click to predict properties on the Chemicalize site


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