ChemSpider 2D Image | 3-(5-Fluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C21H29FO2

3-(5-Fluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H29FO2
  • Average mass332.452 Da
  • Monoisotopic mass332.215149 Da
  • ChemSpider ID23165889

More details:

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

3-(5-Fluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
3-(5-Fluoropentyl)-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
3-(5-Fluorpentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 3-(5-fluoropentyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl- [ACD/Index Name]
3-(5-Fluoro-pentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol (5'-F-δ8-THC)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 180.5±24.4 °C
Index of Refraction: 1.519
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 37000.88
ACD/KOC (pH 5.5): 64789.32
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36849.41
ACD/KOC (pH 7.4): 64524.10
Polar Surface Area: 29 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 315.2±3.0 cm3

Click to predict properties on the Chemicalize site


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