ChemSpider 2D Image | 8-[4-(4-Fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C25H29FIN3O2

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

  • Molecular FormulaC25H29FIN3O2
  • Average mass549.419 Da
  • Monoisotopic mass549.128845 Da
  • ChemSpider ID116004

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-(2-iodoethyl)-1-phenyl- [ACD/Index Name]
8-[4-(4-Fluorophenyl)-4-oxobutyl]-3-(2-iodoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[4-(4-Fluorophényl)-4-oxobutyl]-3-(2-iodoéthyl)-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[4-(4-Fluorphenyl)-4-oxobutyl]-3-(2-iodethyl)-1-phenyl-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)-3-(2-(iodo-125I)ethyl)-1-phenyl-
125I-Ies
130482-21-2 [RN]
8-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-3-(2-iodoethyl)-1,3,8-triazaspiro(4,5)decan-4-one
8-(4-(4-Fluorophenyl)-4-oxobutyl)-3-(2-(iodo-125I)ethyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one
Iodoethylspiperone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 668.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.3±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.16
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 16.57
ACD/KOC (pH 7.4): 89.04
Polar Surface Area: 44 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 362.0±5.0 cm3

Click to predict properties on the Chemicalize site


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