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Search term: FMZIZJJWAWAKON-SKILGCBUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,3aR,5S,7aS)-5-(2,3-Difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | C16H20F2O2

(1S,3aR,5S,7aS)-5-(2,3-Difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol

  • Molecular FormulaC16H20F2O2
  • Average mass282.326 Da
  • Monoisotopic mass282.143127 Da
  • ChemSpider ID26390136

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aR,5S,7aS)-5-(2,3-Difluor-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol [German] [ACD/IUPAC Name]
(1S,3aR,5S,7aS)-5-(2,3-Difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol [ACD/IUPAC Name]
(1S,3aR,5S,7aS)-5-(2,3-Difluoro-4-hydroxyphényl)-7a-méthyloctahydro-1H-indén-1-ol [French] [ACD/IUPAC Name]
1H-Inden-1-ol, 5-(2,3-difluoro-4-hydroxyphenyl)octahydro-7a-methyl-, (1S,3aR,5S,7aS)- [ACD/Index Name]
5CK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 371.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 178.7±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 375.18
ACD/KOC (pH 5.5): 2420.15
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 298.50
ACD/KOC (pH 7.4): 1925.52
Polar Surface Area: 40 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site


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