ChemSpider 2D Image | 3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]octane | C28H30F2N2O2

3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]octane

  • Molecular FormulaC28H30F2N2O2
  • Average mass464.547 Da
  • Monoisotopic mass464.227539 Da
  • ChemSpider ID23219128

  • Double-bond stereo - Double-bond stereo

More details:

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

3,8-Diazabicyclo[3.2.1]octane, 3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-8-[(2E)-3-(2-furanyl)-2-propen-1-yl]- [ACD/Index Name]
3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]octane [ACD/IUPAC Name]
3-{2-[Bis(4-fluorophényl)méthoxy]éthyl}-8-[(2E)-3-(2-furyl)-2-propén-1-yl]-3,8-diazabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
3-{2-[bis(4-fluorophenyl)methoxy]ethyl}-8-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-3,8-diazabicyclo[3.2.1]octane
3-{2-[Bis(4-fluorphenyl)methoxy]ethyl}-8-[(2E)-3-(2-furyl)-2-propen-1-yl]-3,8-diazabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-8-(3-furan-2-yl-allyl)-3,8-diaza-bicyclo[3.2.1]octane oxalate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL357913/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 13.76
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 105.94
ACD/KOC (pH 7.4): 369.05
Polar Surface Area: 29 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 387.7±3.0 cm3

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