ChemSpider 2D Image | 2-(3,4-Difluorobenzyl)-8-[(2S)-2-hydroxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one | C18H22F2N2O3

2-(3,4-Difluorobenzyl)-8-[(2S)-2-hydroxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one

  • Molecular FormulaC18H22F2N2O3
  • Average mass352.376 Da
  • Monoisotopic mass352.159851 Da
  • ChemSpider ID29468406

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(3,4-Difluorbenzyl)-8-[(2S)-2-hydroxypropanoyl]-2,8-diazaspiro[4.5]decan-3-on [German] [ACD/IUPAC Name]
2-(3,4-Difluorobenzyl)-8-[(2S)-2-hydroxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one [ACD/IUPAC Name]
2-(3,4-Difluorobenzyl)-8-[(2S)-2-hydroxypropanoyl]-2,8-diazaspiro[4.5]décan-3-one [French] [ACD/IUPAC Name]
2,8-Diazaspiro[4.5]decan-3-one, 2-[(3,4-difluorophenyl)methyl]-8-[(2S)-2-hydroxy-1-oxopropyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.47
ACD/KOC (pH 5.5): 160.66
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 160.66
Polar Surface Area: 61 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 263.5±5.0 cm3

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