ChemSpider 2D Image | 4'-Fluorocannabidiol | C21H29FO2

4'-Fluorocannabidiol

  • Molecular FormulaC21H29FO2
  • Average mass332.452 Da
  • Monoisotopic mass332.215149 Da
  • ChemSpider ID58191436
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Benzenediol, 4-fluoro-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- [ACD/Index Name]
1619228-89-5 [RN]
4-Fluor-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Fluoro-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol [ACD/IUPAC Name]
4-Fluoro-2-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-pentyl-1,3-benzènediol [French] [ACD/IUPAC Name]
4'-Fluorocannabidiol [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 228.8±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 149739.00
ACD/KOC (pH 5.5): 176195.41
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 141865.08
ACD/KOC (pH 7.4): 166930.28
Polar Surface Area: 40 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 310.9±3.0 cm3

Click to predict properties on the Chemicalize site






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