ChemSpider 2D Image | 8-[4-(4-Fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C23H25FIN3O2

8-[4-(4-Fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID113813

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl- [ACD/Index Name]
8-[4-(4-Fluor-2-iodphenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
8-[4-(4-Fluoro-2-iodophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[4-(4-Fluoro-2-iodophényl)-4-oxobutyl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluoro-2-iodophenyl)-4-oxobutyl)-1-phenyl-
103445-60-9 [RN]
2/'-iodospiperone
2'-Iodospiperone
2'-Isp
8-[4-(4-Fluoro-2-iodo-phenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (2-iodospiperone, 2'-ISP)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 678.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.3±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 123.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 48.20
Polar Surface Area: 53 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 330.5±5.0 cm3

Click to predict properties on the Chemicalize site


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