ChemSpider 2D Image | 4-(4-Fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one | C17H16FNOS

4-(4-Fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

  • Molecular FormulaC17H16FNOS
  • Average mass301.378 Da
  • Monoisotopic mass301.093658 Da
  • ChemSpider ID22751842

More details:

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

[1]Benzothieno[2,3-b]pyridin-2(1H)-one, 4-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro- [ACD/Index Name]
4-(4-Fluorophenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one [ACD/IUPAC Name]
4-(4-Fluorophényl)-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-b]pyridin-2(1H)-one [French] [ACD/IUPAC Name]
4-(4-Fluorphenyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-on [German] [ACD/IUPAC Name]
4-(4-fluorophenyl)-1,3,4,5,6,7,8-heptahydrobenzo[b]thiopheno[2,3-b]pyridin-2-one
4-(4-Fluoro-phenyl)-3,4,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-b]pyridin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.6±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1157.03
ACD/KOC (pH 5.5): 5424.17
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1157.11
ACD/KOC (pH 7.4): 5424.53
Polar Surface Area: 57 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 233.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement