ChemSpider 2D Image | (2R,3R,5R)-3-(4-Fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane | C17H24FN

(2R,3R,5R)-3-(4-Fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane

  • Molecular FormulaC17H24FN
  • Average mass261.378 Da
  • Monoisotopic mass261.189270 Da
  • ChemSpider ID23220316

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2R,3R,5R)-3-(4-Fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2R,3R,5R)-3-(4-Fluorophényl)-8-méthyl-2-propyl-8-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
(2R,3R,5R)-3-(4-Fluorphenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 3-(4-fluorophenyl)-8-methyl-2-propyl-, (2R,3R,5R)- [ACD/Index Name]
(2R,3R,5R)-3-(4-Fluoro-phenyl)-8-methyl-2-propyl-8-aza-bicyclo[3.2.1]octane
CHEMBL147787

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

Density: 1.0±0.1 g/cm3
Boiling Point: 333.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.6±27.9 °C
Index of Refraction: 1.512
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.92
Polar Surface Area: 3 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

Click to predict properties on the Chemicalize site


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