ChemSpider 2D Image | 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(3-iodo-2-propenyl)-1-phenyl-, (E)- | C26H29FIN3O2

1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-3-(3-iodo-2-propenyl)-1-phenyl-, (E)-

  • Molecular FormulaC26H29FIN3O2
  • Average mass561.430 Da
  • Monoisotopic mass561.128845 Da
  • ChemSpider ID4943613

  • 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-(4-(4-fluorophenyl)-4-oxobutyl)-3-(3-iodo-2-propenyl)-1-phenyl-, (E)-
1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[(2E)-3-iodo-2-propen-1-yl]-1-phenyl- [ACD/Index Name]
8-[4-(4-Fluorophenyl)-4-oxobutyl]-3-[(2E)-3-iodo-2-propen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[4-(4-Fluorophényl)-4-oxobutyl]-3-[(2E)-3-iodo-2-propén-1-yl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[4-(4-Fluorphenyl)-4-oxobutyl]-3-[(2E)-3-iod-2-propen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
(E)-N-(Iodoallyl)spiperone
(Z)-N-(Iodoallyl)spiperone
124654-22-4 [RN]
N-(Iodoallyl)spiperone
NIASP

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 36.50
ACD/KOC (pH 7.4): 157.53
Polar Surface Area: 44 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 371.4±5.0 cm3

Click to predict properties on the Chemicalize site


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