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CS-W001157 4
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3,3-Difluoro-1-(trifluoromethyl)cyclobutane-1-carboxylic acid

  • CAS No. 2167095-52-3

  • Cat. No. CS-0500458
  • Purity≥98%
  • MDL No.MFCD31705730

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

3,3-Difluoro-1-(trifluoromethyl)cyclobutane-1-carboxylic acid|CS-0500458

Structure of 2167095-52-3

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General Information

  • CAS No. 2167095-52-3
  • Cat. No. CS-0500458
  • Purity ≥98%
  • MDL No. MFCD31705730
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₅O₂
  • Molecular Weight 204.09
  • Synonym(s) None
  • SMILES OC(=O)C1(CC(F)(F)C1)C(F)(F)F

Description

This difluorocyclobutane carboxylic acid features a trifluoromethyl group that enhances metabolic stability and lipophilicity, while the strained cyclobutane ring imparts conformational rigidity. The geminal difluoro substitution increases electrophilicity at the adjacent carbon, enabling selective functionalization in medicinal chemistry applications.

Application

3,3-Difluoro-1-(trifluoromethyl)cyclobutane-1-carboxylic acid serves as a rigid, electron-deficient building block for medicinal chemistry and agrochemical research. Its trifluoromethyl and difluorocyclobutane moieties confer enhanced metabolic stability and lipophilicity, enabling efficient incorporation into bioactive scaffolds. The carboxylic acid functionality facilitates direct coupling reactions and salt formation, supporting purification and derivatization in standard synthetic workflows.

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   2.0488
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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