ChemSpider 2D Image | {4-[(4-Fluorophenoxy)methyl]-4-hydroxy-1-azepanyl}[4-(trifluoromethoxy)phenyl]methanone | C21H21F4NO4

{4-[(4-Fluorophenoxy)methyl]-4-hydroxy-1-azepanyl}[4-(trifluoromethoxy)phenyl]methanone

  • Molecular FormulaC21H21F4NO4
  • Average mass427.389 Da
  • Monoisotopic mass427.140686 Da
  • ChemSpider ID114678652

More details:

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

{4-[(4-Fluorophenoxy)methyl]-4-hydroxy-1-azepanyl}[4-(trifluoromethoxy)phenyl]methanone [ACD/IUPAC Name]
{4-[(4-Fluorophénoxy)méthyl]-4-hydroxy-1-azépanyl}[4-(trifluorométhoxy)phényl]méthanone [French] [ACD/IUPAC Name]
{4-[(4-Fluorphenoxy)methyl]-4-hydroxy-1-azepanyl}[4-(trifluormethoxy)phenyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[(4-fluorophenoxy)methyl]hexahydro-4-hydroxy-1H-azepin-1-yl][4-(trifluoromethoxy)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.1±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.28
ACD/KOC (pH 5.5): 2055.63
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.28
ACD/KOC (pH 7.4): 2055.63
Polar Surface Area: 59 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 321.7±3.0 cm3

Click to predict properties on the Chemicalize site


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