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

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

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID119008

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-fluorophenyl)-4-oxobutyl]-1-(4-iodophenyl)- [ACD/Index Name]
8-[4-(4-Fluorophenyl)-4-oxobutyl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[4-(4-Fluorophényl)-4-oxobutyl]-1-(4-iodophényl)-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[4-(4-Fluorphenyl)-4-oxobutyl]-1-(4-iodphenyl)-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-(4-iodophenyl)-
4-Iodospiperone
85562-22-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 681.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±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: 3.01
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 8.73
ACD/KOC (pH 7.4): 65.80
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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