ChemSpider 2D Image | (4-{[Butyl(methyl)amino]methyl}phenyl){3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanone | C27H33F3N2O2

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

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID22733075

More details:

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

(4-{[Butyl(methyl)amino]methyl}phenyl){3-[3-(trifluormethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanon [German] [ACD/IUPAC Name]
(4-{[Butyl(methyl)amino]methyl}phenyl){3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]oct-8-yl}methanone [ACD/IUPAC Name]
(4-{[Butyl(méthyl)amino]méthyl}phényl){3-[3-(trifluorométhyl)phénoxy]-8-azabicyclo[3.2.1]oct-8-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(butylmethylamino)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: 551.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.5±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 29.78
ACD/KOC (pH 5.5): 62.59
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 1090.87
ACD/KOC (pH 7.4): 2292.95
Polar Surface Area: 33 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 400.1±3.0 cm3

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