ChemSpider 2D Image | (Z)-{3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]oct-2-ylidene}(methoxy)methanol | C18H21FINO2

(Z)-{3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]oct-2-ylidene}(methoxy)methanol

  • Molecular FormulaC18H21FINO2
  • Average mass429.268 Da
  • Monoisotopic mass429.060089 Da
  • ChemSpider ID95639383

More details:

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

(Z)-{3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]oct-2-ylidene}(methoxy)methanol [ACD/IUPAC Name]
(Z)-{3-(4-Fluorophényl)-8-[(2E)-3-iodo-2-propén-1-yl]-8-azabicyclo[3.2.1]oct-2-ylidène}(méthoxy)méthanol [French] [ACD/IUPAC Name]
(Z)-{3-(4-Fluorphenyl)-8-[(2E)-3-iod-2-propen-1-yl]-8-azabicyclo[3.2.1]oct-2-yliden}(methoxy)methanol [German] [ACD/IUPAC Name]
Methanol, 1-[3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]oct-2-ylidene]-1-methoxy-, (Z)- [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: 480.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.3±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 287.08
ACD/KOC (pH 5.5): 1669.79
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 535.59
ACD/KOC (pH 7.4): 3115.26
Polar Surface Area: 33 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 278.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement