ChemSpider 2D Image | 2-Fluoroethyl (1R,2S,3S,5R)-3-{4-[(Z)-2-iodovinyl]phenyl}-8-azabicyclo[3.2.1]octane-2-carboxylate | C18H21FINO2

2-Fluoroethyl (1R,2S,3S,5R)-3-{4-[(Z)-2-iodovinyl]phenyl}-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC18H21FINO2
  • Average mass429.268 Da
  • Monoisotopic mass429.060089 Da
  • ChemSpider ID29394994

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,5R)-3-{4-[(Z)-2-Iodovinyl]phényl}-8-azabicyclo[3.2.1]octane-2-carboxylate de 2-fluoroéthyle [French] [ACD/IUPAC Name]
2-Fluorethyl-(1R,2S,3S,5R)-3-{4-[(Z)-2-iodvinyl]phenyl}-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
2-Fluoroethyl (1R,2S,3S,5R)-3-{4-[(Z)-2-iodovinyl]phenyl}-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[4-[(Z)-2-iodoethenyl]phenyl]-, 2-fluoroethyl ester, (1R,2S,3S,5R)- [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: 488.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.1±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.68
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 2.45
ACD/KOC (pH 7.4): 14.17
Polar Surface Area: 38 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 286.0±3.0 cm3

Click to predict properties on the Chemicalize site


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