ChemSpider 2D Image | 5-(2,6-Difluorobenzyl)-2-{1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidinyl}pyridine | C28H30F2N2O

5-(2,6-Difluorobenzyl)-2-{1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidinyl}pyridine

  • Molecular FormulaC28H30F2N2O
  • Average mass448.547 Da
  • Monoisotopic mass448.232605 Da
  • ChemSpider ID68370102

More details:






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

5-(2,6-Difluorbenzyl)-2-{1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidinyl}pyridin [German] [ACD/IUPAC Name]
5-(2,6-Difluorobenzyl)-2-{1-[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)methyl]-3-piperidinyl}pyridine [ACD/IUPAC Name]
5-(2,6-Difluorobenzyl)-2-{1-[(2,2-diméthyl-2,3-dihydro-1-benzofuran-5-yl)méthyl]-3-pipéridinyl}pyridine [French] [ACD/IUPAC Name]
Pyridine, 5-[(2,6-difluorophenyl)methyl]-2-[1-[(2,3-dihydro-2,2-dimethyl-5-benzofuranyl)methyl]-3-piperidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 33.99
ACD/KOC (pH 5.5): 74.99
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1611.11
ACD/KOC (pH 7.4): 3554.75
Polar Surface Area: 25 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 379.6±3.0 cm3

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