ChemSpider 2D Image | (3aS,4R,9bR)-8-Fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid | C13H12FNO2

(3aS,4R,9bR)-8-Fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

  • Molecular FormulaC13H12FNO2
  • Average mass233.238 Da
  • Monoisotopic mass233.085205 Da
  • ChemSpider ID32797788

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4R,9bR)-8-Fluor-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin-4-carbonsäure [German] [ACD/IUPAC Name]
(3aS,4R,9bR)-8-Fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline-4-carboxylic acid, 8-fluoro-3a,4,5,9b-tetrahydro-, (3aS,4R,9bR)- [ACD/Index Name]
Acide (3aS,4R,9bR)-8-fluoro-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 191.2±27.9 °C
Index of Refraction: 1.589
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 176.3±3.0 cm3

Click to predict properties on the Chemicalize site


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