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CS-W001157 4
Total: USD 88.00

4,4-Difluoropentanoic acid

  • CAS No. 125110-82-9

  • Cat. No. CS-0248177
  • Purity≥98%
  • MDL No.MFCD09806700

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

4,4-Difluoropentanoic acid|CS-0248177

Structure of 125110-82-9

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General Information

  • CAS No. 125110-82-9
  • Cat. No. CS-0248177
  • Purity ≥98%
  • MDL No. MFCD09806700
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈F₂O₂
  • Molecular Weight 138.11
  • Synonym(s) 4,4-Difluorpentanoic acid
  • SMILES CC(F)(F)CCC(O)=O

Description

4,4-Difluoropentanoic acid features a geminal difluoro substitution at the C4 position, imparting enhanced metabolic stability and altered lipophilicity. This structural motif enables strategic incorporation into bioactive molecules, particularly as a metabolically resistant isostere of common alkyl chains. The carboxylic acid functionality supports direct derivatization or salt formation for improved solubility and handling.

Application

4,4-Difluoropentanoic acid serves as a valuable building block in medicinal chemistry, enabling the introduction of a sterically constrained, electron-withdrawing difluoromethyl group adjacent to a carboxylic acid. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient incorporation into bioactive molecules. The molecule functions as a versatile synthon for fluorinated aliphatic motifs found in pharmaceutical scaffolds, offering enhanced metabolic stability and modulated lipophilicity.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.5064
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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