ChemSpider 2D Image | (4-{[Butyl(ethyl)amino]methyl}phenyl){3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanone | C28H35F3N2O2

(4-{[Butyl(ethyl)amino]methyl}phenyl){3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanone

  • Molecular FormulaC28H35F3N2O2
  • Average mass488.585 Da
  • Monoisotopic mass488.265076 Da
  • ChemSpider ID22735756

More details:

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

(4-{[Butyl(ethyl)amino]methyl}phenyl){3-[3-(trifluormethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanon [German] [ACD/IUPAC Name]
(4-{[Butyl(ethyl)amino]methyl}phenyl){3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanone [ACD/IUPAC Name]
(4-{[Butyl(éthyl)amino]méthyl}phényl){3-[3-(trifluorométhyl)phénoxy]-8-azabicyclo[3.2.1]oct-8-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(butylethylamino)methyl]phenyl][3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.543
Molar Refractivity: 131.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 48.72
ACD/KOC (pH 5.5): 87.65
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 1688.97
ACD/KOC (pH 7.4): 3038.86
Polar Surface Area: 33 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

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