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Search term: WYNSCFORRAXQPA-IAXKEJLGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(fluoromethyl)phenyl](hydroxy)phenylacetate | C22H24FNO3

1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(fluoromethyl)phenyl](hydroxy)phenylacetate

  • Molecular FormulaC22H24FNO3
  • Average mass369.429 Da
  • Monoisotopic mass369.174011 Da
  • ChemSpider ID23142033

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-[4-(Fluorométhyl)phényl](hydroxy)phénylacétate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl (2S)-[4-(fluoromethyl)phenyl](hydroxy)phenylacetate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl-(2S)-[4-(fluormethyl)phenyl](hydroxy)phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(fluoromethyl)-α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, (αS)- [ACD/Index Name]
(S)-(4-Fluoromethyl-phenyl)-hydroxy-phenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.7±24.6 °C
Index of Refraction: 1.617
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 9.39
ACD/KOC (pH 7.4): 74.11
Polar Surface Area: 50 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

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