ChemSpider 2D Image | (3aR,4R,7aS)-4-Ethyl-2-(5-fluoro-2-methylbenzyl)octahydro-1H-isoindol-4-ol | C18H26FNO

(3aR,4R,7aS)-4-Ethyl-2-(5-fluoro-2-methylbenzyl)octahydro-1H-isoindol-4-ol

  • Molecular FormulaC18H26FNO
  • Average mass291.404 Da
  • Monoisotopic mass291.199829 Da
  • ChemSpider ID71351595

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,4R,7aS)-4-Ethyl-2-(5-fluor-2-methylbenzyl)octahydro-1H-isoindol-4-ol [German] [ACD/IUPAC Name]
(3aR,4R,7aS)-4-Ethyl-2-(5-fluoro-2-methylbenzyl)octahydro-1H-isoindol-4-ol [ACD/IUPAC Name]
(3aR,4R,7aS)-4-Éthyl-2-(5-fluoro-2-méthylbenzyl)octahydro-1H-isoindol-4-ol [French] [ACD/IUPAC Name]
1H-Isoindol-4-ol, 4-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]octahydro-, (3aR,4R,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.8±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.4±25.1 °C
Index of Refraction: 1.545
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 61.39
Polar Surface Area: 23 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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