ChemSpider 2D Image | (3-endo)-8-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-8-azabicyclo[3.2.1]octan-3-ol | C21H23ClFNO2

(3-endo)-8-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-8-azabicyclo[3.2.1]octan-3-ol

  • Molecular FormulaC21H23ClFNO2
  • Average mass375.864 Da
  • Monoisotopic mass375.140137 Da
  • ChemSpider ID62739213
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3-endo)-8-{2-[(2-Chlor-6-fluorbenzyl)oxy]benzyl}-8-azabicyclo[3.2.1]octan-3-ol [German] [ACD/IUPAC Name]
(3-endo)-8-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-8-azabicyclo[3.2.1]octan-3-ol [ACD/IUPAC Name]
(3-endo)-8-{2-[(2-Chloro-6-fluorobenzyl)oxy]benzyl}-8-azabicyclo[3.2.1]octan-3-ol [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octan-3-ol, 8-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-, (3-endo) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 501.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.3±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 7.14
Polar Surface Area: 33 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement