ChemSpider 2D Image | 2-Fluorobutyl 2-(8-azabicyclo[3.2.1]oct-1-yl)-5-iodobenzoate | C18H23FINO2

2-Fluorobutyl 2-(8-azabicyclo[3.2.1]oct-1-yl)-5-iodobenzoate

  • Molecular FormulaC18H23FINO2
  • Average mass431.284 Da
  • Monoisotopic mass431.075745 Da
  • ChemSpider ID128430340

More details:

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

2-(8-Azabicyclo[3.2.1]oct-1-yl)-5-iodobenzoate de 2-fluorobutyle [French] [ACD/IUPAC Name]
2-Fluorbutyl-2-(8-azabicyclo[3.2.1]oct-1-yl)-5-iodbenzoat [German] [ACD/IUPAC Name]
2-Fluorobutyl 2-(8-azabicyclo[3.2.1]oct-1-yl)-5-iodobenzoate [ACD/IUPAC Name]
Benzoic acid, 2-(8-azabicyclo[3.2.1]oct-1-yl)-5-iodo-, 2-fluorobutyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 477.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.3±28.7 °C
Index of Refraction: 1.574
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 7.06
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 4.63
ACD/KOC (pH 7.4): 17.99
Polar Surface Area: 38 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 293.2±3.0 cm3

Click to predict properties on the Chemicalize site


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