ChemSpider 2D Image | 1'-[(5-Fluoro-1-benzothiophen-2-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one | C21H16FNO3S

1'-[(5-Fluoro-1-benzothiophen-2-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one

  • Molecular FormulaC21H16FNO3S
  • Average mass381.420 Da
  • Monoisotopic mass381.083496 Da
  • ChemSpider ID35010697

More details:

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

1'-[(5-Fluor-1-benzothiophen-2-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-on [German] [ACD/IUPAC Name]
1'-[(5-Fluoro-1-benzothiophen-2-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one [ACD/IUPAC Name]
1'-[(5-Fluoro-1-benzothiophén-2-yl)carbonyl]-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one, 1'-[(5-fluorobenzo[b]thien-2-yl)carbonyl]- [ACD/Index Name]
1'-(5-fluoro-1-benzothiophene-2-carbonyl)-3H-spiro[2-benzofuran-1,4'-piperidine]-3-one
1'-(5-fluorobenzo[b]thiophene-2-carbonyl)-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
1706073-45-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 649.23
ACD/KOC (pH 5.5): 3586.87
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.23
ACD/KOC (pH 7.4): 3586.87
Polar Surface Area: 75 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 261.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement