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CS-W001157 4
Total: USD 88.00

2-Cyclopropyl-2,2-difluoroacetic acid

  • CAS No. 1557661-16-1

  • Cat. No. CS-0161410
  • Purity≥95%
  • MDL No.MFCD26728228

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

2-Cyclopropyl-2,2-difluoroacetic acid|CS-0161410

Structure of 1557661-16-1

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General Information

  • CAS No. 1557661-16-1
  • Cat. No. CS-0161410
  • Purity ≥95%
  • MDL No. MFCD26728228
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆F₂O₂
  • Molecular Weight 136.10
  • Synonym(s) Cyclopropaneacetic acid, α,α-difluoro-
  • SMILES O=C(O)C(F)(C1CC1)F

Description

2-Cyclopropyl-2,2-difluoroacetic acid features a sterically hindered cyclopropyl group paired with a geminal difluoro motif, delivering enhanced metabolic stability and lipophilicity. This structural combination enables efficient incorporation into bioactive molecules, particularly in medicinal chemistry applications requiring resistance to oxidative degradation. The compound exhibits bench-stable handling characteristics under standard conditions.

Application

2-Cyclopropyl-2,2-difluoroacetic acid serves as a versatile building block in medicinal chemistry, enabling the introduction of a sterically constrained, highly lipophilic difluoromethyl group. Its stability under standard synthetic conditions facilitates incorporation into bioactive molecules via esterification, amidation, or direct functionalization. The cyclopropyl moiety enhances metabolic resistance and modulates conformational flexibility, making it valuable for optimizing pharmacokinetic profiles in drug discovery campaigns.

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.1163
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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