ChemSpider 2D Image | 1-(7-{2-[(2-Fluorobenzyl)oxy]ethyl}-5-oxa-2-azaspiro[3.4]oct-2-yl)-2-(2-fluorophenyl)ethanone | C23H25F2NO3

1-(7-{2-[(2-Fluorobenzyl)oxy]ethyl}-5-oxa-2-azaspiro[3.4]oct-2-yl)-2-(2-fluorophenyl)ethanone

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID90610112

More details:

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

1-(7-{2-[(2-Fluorbenzyl)oxy]ethyl}-5-oxa-2-azaspiro[3.4]oct-2-yl)-2-(2-fluorphenyl)ethanon [German] [ACD/IUPAC Name]
1-(7-{2-[(2-Fluorobenzyl)oxy]ethyl}-5-oxa-2-azaspiro[3.4]oct-2-yl)-2-(2-fluorophenyl)ethanone [ACD/IUPAC Name]
1-(7-{2-[(2-Fluorobenzyl)oxy]éthyl}-5-oxa-2-azaspiro[3.4]oct-2-yl)-2-(2-fluorophényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2-fluorophenyl)-1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]oct-2-yl]- [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: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.86
ACD/KOC (pH 5.5): 3076.20
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.86
ACD/KOC (pH 7.4): 3076.21
Polar Surface Area: 39 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 317.7±5.0 cm3

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