ChemSpider 2D Image | (2R,3R,6R)-5-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.0~2,6~]undecane | C23H27FN2O

(2R,3R,6R)-5-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane

  • Molecular FormulaC23H27FN2O
  • Average mass366.472 Da
  • Monoisotopic mass366.210754 Da
  • ChemSpider ID29508193

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,6R)-5-(4-Fluorbenzyl)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan [German] [ACD/IUPAC Name]
(2R,3R,6R)-5-(4-Fluorobenzyl)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane [ACD/IUPAC Name]
(2R,3R,6R)-5-(4-Fluorobenzyl)-3-(4-méthoxyphényl)-1,5-diazatricyclo[5.2.2.02,6]undécane [French] [ACD/IUPAC Name]
4,7-Ethano-4H-pyrrolo[3,2-b]pyridine, 1-[(4-fluorophenyl)methyl]octahydro-3-(4-methoxyphenyl)-, (3R,3aR,7aR)- [ACD/Index Name]
(3R*,3aR*,7aR*)-1-(4-fluorobenzyl)-3-(4-methoxyphenyl)octahydro-4,7-ethanopyrrolo[3,2-b]pyridine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.0±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 11.26
ACD/KOC (pH 7.4): 72.54
Polar Surface Area: 16 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 298.8±5.0 cm3

Click to predict properties on the Chemicalize site


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