ChemSpider 2D Image | WMS-2539 | C20H22FNO2

WMS-2539

  • Molecular FormulaC20H22FNO2
  • Average mass327.393 Da
  • Monoisotopic mass327.163452 Da
  • ChemSpider ID26348553
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,4S)-2-[(4S)-2,2-Diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine [ACD/IUPAC Name]
(2S,4S)-2-[(4S)-2,2-Diphényl-1,3-dioxolan-4-yl]-4-fluoropipéridine [French] [ACD/IUPAC Name]
(2S,4S)-2-[(4S)-2,2-Diphenyl-1,3-dioxolan-4-yl]-4-fluorpiperidin [German] [ACD/IUPAC Name]
Piperidine, 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoro-, (2S,4S)- [ACD/Index Name]
WMS-2539

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

Density: 1.2±0.1 g/cm3
Boiling Point: 448.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 13.57
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 138.82
ACD/KOC (pH 7.4): 584.66
Polar Surface Area: 30 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

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