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

8-[(3Z)-4-(4-Fluorophenyl)-4-hydroxy-3-buten-1-yl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC23H25FIN3O2
  • Average mass521.366 Da
  • Monoisotopic mass521.097534 Da
  • ChemSpider ID95569535

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(3Z)-4-(4-fluorophenyl)-4-hydroxy-3-buten-1-yl]-1-(4-iodophenyl)- [ACD/Index Name]
8-[(3Z)-4-(4-Fluorophenyl)-4-hydroxy-3-buten-1-yl]-1-(4-iodophenyl)-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[(3Z)-4-(4-Fluorophényl)-4-hydroxy-3-butén-1-yl]-1-(4-iodophényl)-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[(3Z)-4-(4-Fluorphenyl)-4-hydroxy-3-buten-1-yl]-1-(4-iodphenyl)-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 168.13
Polar Surface Area: 56 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 324.1±5.0 cm3

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