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ChemSpider 2D Image | Methyl (2R,3R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | C23H25F2NO3

Methyl (2R,3R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID23154462

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Date of deprecation: 13:33, Feb 22, 2024
Reason for deprecation: Deprecate record: Testing Bad record 2

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(2R,3R)-3-[Bis(4-fluorophényl)méthoxy]-8-méthyl-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-[bis(4-fluorophenyl)methoxy]-8-methyl-, methyl ester, (2R,3R)- [ACD/Index Name]
Methyl (2R,3R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3R)-3-[bis(4-fluorphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]
(2R,3R,8S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

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

Density: 1.3±0.0 g/cm3
Boiling Point: 461.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 72.2±0.0 kJ/mol
Flash Point: 232.6±0.0 °C
Index of Refraction: 1.576
Molar Refractivity: 105.9±0.0 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 4.15
ACD/KOC (pH 7.4): 28.84
Polar Surface Area: 39 Å2
Polarizability: 42.0±0.0 10-24cm3
Surface Tension: 46.7±0.0 dyne/cm
Molar Volume: 319.7±0.0 cm3

Click to predict properties on the Chemicalize site


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