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CS-W001157 4
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1-(Trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid

  • CAS No. 2825012-62-0

  • Cat. No. CS-1046904
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(Trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid|CS-1046904

Structure of 2825012-62-0

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General Information

  • CAS No. 2825012-62-0
  • Cat. No. CS-1046904
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁F₃O₃
  • Molecular Weight 224.18
  • Synonym(s) None
  • SMILES O=C(C12COC(CC2)(C(F)(F)F)CC1)O

Description

This trifluoromethyl-substituted bicyclic carboxylic acid features a rigid, electron-deficient scaffold ideal for probing steric and electronic effects in medicinal chemistry. The oxabicyclic core provides structural stability, while the para-trifluoromethyl group enhances metabolic resistance and lipophilicity. Designed for direct incorporation into bioactive molecules, it enables precise modulation of pharmacokinetic properties in lead optimization campaigns.

Application

1-(Trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid serves as a rigid, electron-deficient bicyclic building block for medicinal chemistry and materials science. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid functionality enables direct coupling or derivatization. The oxabicyclic core provides conformational restraint, facilitating structure-activity relationship studies. Bench-stable and compatible with standard peptide coupling protocols, it functions effectively in diverse synthetic workflows requiring defined spatial orientation and enhanced physicochemical properties.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.9627
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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