ChemSpider 2D Image | 4'-Fluorococaine | C17H20FNO4

4'-Fluorococaine

  • Molecular FormulaC17H20FNO4
  • Average mass321.343 Da
  • Monoisotopic mass321.137634 Da
  • ChemSpider ID31046400

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3S,5S)-3-[(4-Fluorobenzoyl)oxy]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
134507-62-3 [RN]
4'-Fluorococaine
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[(4-fluorobenzoyl)oxy]-8-methyl-, methyl ester, (1R,2R,3S,5S)- [ACD/Index Name]
Methyl (1R,2R,3S,5S)-3-[(4-fluorobenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3S,5S)-3-[(4-fluorbenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
4'-Fluoro Cocaine
methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Unii-6045353J3C

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

6045353J3C [DBID]
UNII:6045353J3C [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.556
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 4.23
ACD/KOC (pH 7.4): 40.98
Polar Surface Area: 56 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 252.6±5.0 cm3

Click to predict properties on the Chemicalize site


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