ChemSpider 2D Image | (3aR,4S,9bS)-4-(4-Bromophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C18H15BrFN

(3aR,4S,9bS)-4-(4-Bromophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC18H15BrFN
  • Average mass344.221 Da
  • Monoisotopic mass343.037170 Da
  • ChemSpider ID62622489

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4S,9bS)-4-(4-Bromophényl)-8-fluoro-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aR,4S,9bS)-4-(4-Bromophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
(3aR,4S,9bS)-4-(4-Bromphenyl)-8-fluor-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 4-(4-bromophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-, (3aR,4S,9bS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 424.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 85.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3149.00
ACD/KOC (pH 5.5): 10894.76
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3366.94
ACD/KOC (pH 7.4): 11648.78
Polar Surface Area: 12 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 244.4±3.0 cm3

Click to predict properties on the Chemicalize site


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