ChemSpider 2D Image | (3aS,4R,9bR)-6-Fluoro-4-{4-[(4-methylbenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline | C26H24FNO

(3aS,4R,9bR)-6-Fluoro-4-{4-[(4-methylbenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

  • Molecular FormulaC26H24FNO
  • Average mass385.473 Da
  • Monoisotopic mass385.184204 Da
  • ChemSpider ID57292368

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4R,9bR)-6-Fluor-4-{4-[(4-methylbenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]chinolin [German] [ACD/IUPAC Name]
(3aS,4R,9bR)-6-Fluoro-4-{4-[(4-méthylbenzyl)oxy]phényl}-3a,4,5,9b-tétrahydro-3H-cyclopenta[c]quinoléine [French] [ACD/IUPAC Name]
(3aS,4R,9bR)-6-Fluoro-4-{4-[(4-methylbenzyl)oxy]phenyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline [ACD/IUPAC Name]
3H-Cyclopenta[c]quinoline, 6-fluoro-3a,4,5,9b-tetrahydro-4-[4-[(4-methylphenyl)methoxy]phenyl]-, (3aS,4R,9bR)- [ACD/Index Name]
(3AS,4R,9BR)-6-FLUORO-4-[4-[(4-METHYLPHENYL)METHOXY]PHENYL]-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 6.12
ACD/BCF (pH 5.5): 26268.80
ACD/KOC (pH 5.5): 50596.91
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26457.82
ACD/KOC (pH 7.4): 50960.97
Polar Surface Area: 21 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 329.2±3.0 cm3

Click to predict properties on the Chemicalize site


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