ChemSpider 2D Image | (2E)-3-Iodo-2-propen-1-yl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C18H21FINO2

(2E)-3-Iodo-2-propen-1-yl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC18H21FINO2
  • Average mass429.268 Da
  • Monoisotopic mass429.060089 Da
  • ChemSpider ID23190387

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Iod-2-propen-1-yl-3-(4-fluorphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
(2E)-3-Iodo-2-propen-1-yl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
(2E)-3-iodoprop-2-en-1-yl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
3-(4-Fluorophényl)-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de (2E)-3-iodo-2-propén-1-yle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, (2E)-3-iodo-2-propen-1-yl ester [ACD/Index Name]
3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid (E)-3-iodo-allyl ester
CHEMBL316543

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

Density: 1.5±0.1 g/cm3
Boiling Point: 457.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.2±28.7 °C
Index of Refraction: 1.590
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.83
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 21.18
Polar Surface Area: 30 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 285.5±3.0 cm3

Click to predict properties on the Chemicalize site


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