ChemSpider 2D Image | (1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid | C17H19FINO2

(1R,2S,3S,5S)-3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid

  • Molecular FormulaC17H19FINO2
  • Average mass415.241 Da
  • Monoisotopic mass415.044434 Da
  • ChemSpider ID52564464

  • 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,5S)-3-(4-Fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid [ACD/IUPAC Name]
(1R,2S,3S,5S)-3-(4-Fluorphenyl)-8-[(2E)-3-iod-2-propen-1-yl]-8-azabicyclo[3.2.1]octan-2-carbonsäure [German] [ACD/IUPAC Name]
335104-67-1 [RN]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-, (1R,2S,3S,5S)- [ACD/Index Name]
Acide (1R,2S,3S,5S)-3-(4-fluorophényl)-8-[(2E)-3-iodo-2-propén-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,2S,3S,5S)-3-(4-FLUOROPHENYL)-8-[(2E)-3-IODO-2-ALLYL]-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
(E)-N-(1-Iodoprop-1-en-3-yl)-3-β-(4-fluorophenyl)-nortropane-2-β-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.617
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 8.02
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 8.01
Polar Surface Area: 41 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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