ChemSpider 2D Image | (3-endo)-8-Allyl-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane | C23H25F2NO

(3-endo)-8-Allyl-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC23H25F2NO
  • Average mass369.448 Da
  • Monoisotopic mass369.190430 Da
  • ChemSpider ID31124971

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-endo)-8-Allyl-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-endo)-8-Allyl-3-[bis(4-fluorophényl)méthoxy]-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(3-endo)-8-Allyl-3-[bis(4-fluorphenyl)methoxy]-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-[bis(4-fluorophenyl)methoxy]-8-(2-propen-1-yl)-, (3-endo) [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: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 19.96
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 58.15
ACD/KOC (pH 7.4): 153.70
Polar Surface Area: 12 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 311.5±5.0 cm3

Click to predict properties on the Chemicalize site


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