ChemSpider 2D Image | (4aS,8aS)-2-(5-Fluoro-2-methylbenzyl)octahydro-4a(2H)-isoquinolinol | C17H24FNO

(4aS,8aS)-2-(5-Fluoro-2-methylbenzyl)octahydro-4a(2H)-isoquinolinol

  • Molecular FormulaC17H24FNO
  • Average mass277.377 Da
  • Monoisotopic mass277.184204 Da
  • ChemSpider ID32069118
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4aS,8aS)-2-(5-Fluor-2-methylbenzyl)octahydro-4a(2H)-isochinolinol [German] [ACD/IUPAC Name]
(4aS,8aS)-2-(5-Fluoro-2-méthylbenzyl)octahydro-4a(2H)-isoquinoléinol [French] [ACD/IUPAC Name]
(4aS,8aS)-2-(5-Fluoro-2-methylbenzyl)octahydro-4a(2H)-isoquinolinol [ACD/IUPAC Name]
4a(2H)-Isoquinolinol, 2-[(5-fluoro-2-methylphenyl)methyl]octahydro-, (4aS,8aS)- [ACD/Index Name]
(4aS*,8aS*)-2-(5-fluoro-2-methylbenzyl)octahydroisoquinolin-4a(2H)-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 394.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 192.3±26.5 °C
Index of Refraction: 1.569
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 34.03
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 92.52
ACD/KOC (pH 7.4): 804.72
Polar Surface Area: 23 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 240.0±3.0 cm3

Click to predict properties on the Chemicalize site






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