ChemSpider 2D Image | 1-(3,4-Difluorobenzyl)-3-hydroxy-3-{[(1,2-oxazol-3-ylmethyl)amino]methyl}-2-piperidinone | C17H19F2N3O3

1-(3,4-Difluorobenzyl)-3-hydroxy-3-{[(1,2-oxazol-3-ylmethyl)amino]methyl}-2-piperidinone

  • Molecular FormulaC17H19F2N3O3
  • Average mass351.348 Da
  • Monoisotopic mass351.139435 Da
  • ChemSpider ID22248702

More details:

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

1-(3,4-Difluorbenzyl)-3-hydroxy-3-{[(1,2-oxazol-3-ylmethyl)amino]methyl}-2-piperidinon [German] [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-3-hydroxy-3-{[(1,2-oxazol-3-ylmethyl)amino]methyl}-2-piperidinone [ACD/IUPAC Name]
1-(3,4-Difluorobenzyl)-3-hydroxy-3-{[(1,2-oxazol-3-ylméthyl)amino]méthyl}-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[(3-isoxazolylmethyl)amino]methyl]- [ACD/Index Name]
1-(3,4-difluorobenzyl)-3-hydroxy-3-{[(3-isoxazolylmethyl)amino]methyl}-2-piperidinone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 557.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 291.0±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 54.99
Polar Surface Area: 79 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

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