ChemSpider 2D Image | (2Z)-2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]methylene}quinuclidin-3-one | C23H21FN2O

(2Z)-2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]methylene}quinuclidin-3-one

  • Molecular FormulaC23H21FN2O
  • Average mass360.424 Da
  • Monoisotopic mass360.163788 Da
  • ChemSpider ID23297755

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[1-(4-Fluorbenzyl)-1H-indol-3-yl]methylen}chinuclidin-3-on [German] [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]methylene}quinuclidin-3-one [ACD/IUPAC Name]
(2Z)-2-{[1-(4-Fluorobenzyl)-1H-indol-3-yl]méthylène}quinuclidin-3-one [French] [ACD/IUPAC Name]
(2Z)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}-1-azabicyclo[2.2.2]octan-3-one
1-Azabicyclo[2.2.2]octan-3-one, 2-[[1-[(4-fluorophenyl)methyl]-1H-indol-3-yl]methylene]-, (2Z)- [ACD/Index Name]
2-[1-[1-(4-fluoro-benzyl)-1H-indol-3-yl]-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.2]octan-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.663
Molar Refractivity: 104.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1351.89
ACD/KOC (pH 5.5): 6030.39
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1377.88
ACD/KOC (pH 7.4): 6146.33
Polar Surface Area: 25 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 281.9±7.0 cm3

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