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CS-W001157 4
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3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

  • CAS No. 224584-18-3

  • Cat. No. CS-0049792
  • Purity≥97%
  • MDL No.MFCD20544759

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

3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid|CS-0049792

Structure of 224584-18-3

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General Information

  • CAS No. 224584-18-3
  • Cat. No. CS-0049792
  • Purity ≥97%
  • MDL No. MFCD20544759
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₃O₂
  • Molecular Weight 180.12
  • Synonym(s) None
  • SMILES OC(C12CC(C2)(C(F)(F)F)C1)=O

Description

This trifluoromethyl-substituted bicyclic acid features a rigid, sterically constrained [1.1.1]bicyclo[1.1.1]pentane core that imparts exceptional metabolic stability and enhanced membrane permeability. The carboxylic acid group enables direct conjugation or derivatization in medicinal chemistry campaigns. Its electron-withdrawing trifluoromethyl moiety modulates pKa and lipophilicity, offering precise tuning of physicochemical properties for drug discovery applications.

Application

3-(Trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxylic acid serves as a rigid, sterically constrained building block for medicinal chemistry and materials science. Its trifluoromethyl group imparts enhanced lipophilicity and metabolic stability, while the bicyclo[1.1.1]pentane core provides exceptional conformational rigidity and low polar surface area. The carboxylic acid functionality enables direct coupling or derivatization in standard peptide and small-molecule synthesis workflows, facilitating efficient access to bioactive scaffolds with improved pharmacokinetic profiles.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8036
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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