Found 1 result

Search term: DCXNWKJBGWQTRN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(4-Fluorophenyl)-2-[(2,2,3,3,5,5,6,6-~2~H_8_)-1-piperazinyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine | C21H18D8FN3

4-(4-Fluorophenyl)-2-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

  • Molecular FormulaC21H18D8FN3
  • Average mass347.499 Da
  • Monoisotopic mass347.261292 Da
  • ChemSpider ID115006814

  • Non-standard isotope - Non-standard isotope

More details:

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

4-(4-Fluorophenyl)-2-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine [ACD/IUPAC Name]
4-(4-Fluorophényl)-2-[(2,2,3,3,5,5,6,6-2H8)-1-pipérazinyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine [French] [ACD/IUPAC Name]
4-(4-Fluorphenyl)-2-[(2,2,3,3,5,5,6,6-2H8)-1-piperazinyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin [German] [ACD/IUPAC Name]
Cycloocta[b]pyridine, 4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-2-(1-piperazinyl-2,2,3,3,5,5,6,6-d8)- [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: 549.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 6.63
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 188.44
ACD/KOC (pH 7.4): 725.84
Polar Surface Area: 28 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 302.8±3.0 cm3

Click to predict properties on the Chemicalize site


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