ChemSpider 2D Image | (1S,6S)-6-Fluoro-6-isopropyl-3-methyl-2-cyclohexen-1-ol | C10H17FO

(1S,6S)-6-Fluoro-6-isopropyl-3-methyl-2-cyclohexen-1-ol

  • Molecular FormulaC10H17FO
  • Average mass172.240 Da
  • Monoisotopic mass172.126343 Da
  • ChemSpider ID24211514

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,6S)-6-Fluor-6-isopropyl-3-methyl-2-cyclohexen-1-ol [German] [ACD/IUPAC Name]
(1S,6S)-6-Fluoro-6-isopropyl-3-methyl-2-cyclohexen-1-ol [ACD/IUPAC Name]
(1S,6S)-6-Fluoro-6-isopropyl-3-méthyl-2-cyclohexén-1-ol [French] [ACD/IUPAC Name]
2-Cyclohexen-1-ol, 6-fluoro-3-methyl-6-(1-methylethyl)-, (1S,6S)- [ACD/Index Name]
(1S,6S)-6-fluoro-6-isopropyl-3-methylcyclohex-2-enol
2-Cyclohexen-1-ol, 6-fluoro-3-methyl-6-(1-methylethyl)-, (1S,6S)- (9CI)
345300-87-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 224.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.5±6.0 kJ/mol
Flash Point: 119.4±19.0 °C
Index of Refraction: 1.463
Molar Refractivity: 47.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.36
ACD/KOC (pH 5.5): 753.22
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.36
ACD/KOC (pH 7.4): 753.22
Polar Surface Area: 20 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 29.6±5.0 dyne/cm
Molar Volume: 172.8±5.0 cm3

Click to predict properties on the Chemicalize site


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