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Atomfair (S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride C5H7ClF2N2 CAS 869489-04-3

(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride (CAS No. 869489-04-3) is a high-purity fluorinated organic compound with the molecular formula C5H7ClF2N2. This chiral building block features a stereospecific (S)-configuration and contains both difluoropyrrolidine and nitrile functional groups, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. The hydrochloride salt form enhances stability and solubility for handling in synthetic applications. With a molecular weight of 168.57 g/mol, this compound is rigorously tested by HPLC, NMR, and mass spectrometry to ensure ≥95% purity. Ideal for researchers developing protease inhibitors, kinase modulators, or other bioactive molecules where fluorinated pyrrolidine scaffolds are desired. Supplied as a white to…

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Description

(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride (CAS No. 869489-04-3) is a high-purity fluorinated organic compound with the molecular formula C5H7ClF2N2. This chiral building block features a stereospecific (S)-configuration and contains both difluoropyrrolidine and nitrile functional groups, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. The hydrochloride salt form enhances stability and solubility for handling in synthetic applications. With a molecular weight of 168.57 g/mol, this compound is rigorously tested by HPLC, NMR, and mass spectrometry to ensure ≥95% purity. Ideal for researchers developing protease inhibitors, kinase modulators, or other bioactive molecules where fluorinated pyrrolidine scaffolds are desired. Supplied as a white to off-white crystalline solid in amber glass vials under inert atmosphere to prevent degradation.

Properties

  • CAS Number: 869489-04-3
  • Complexity: 158
  • IUPAC Name: (2S)-4,4-difluoropyrrolidine-2-carbonitrile;hydrochloride
  • InChI: InChI=1S/C5H6F2N2.ClH/c6-5(7)1-4(2-8)9-3-5;/h4,9H,1,3H2;1H/t4-;/m0./s1
  • InChI Key: BOGMTOHWIVLVJE-WCCKRBBISA-N
  • Exact Mass: 168.0265822
  • Molecular Formula: C5H7ClF2N2
  • Molecular Weight: 168.57
  • SMILES: C1[C@H](NCC1(F)F)C#N.Cl
  • Topological: 35.8
  • Monoisotopic Mass: 168.0265822
  • Synonyms: 869489-04-3, (S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride, (2S)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride, (S)-4,4-Difluoropyrrolidine-2-carbonitrile HCl, (2S)-4,4-difluoropyrrolidine-2-carbonitrile;hydrochloride, MFCD28403267, C5H7ClF2N2, SCHEMBL3848539, BOGMTOHWIVLVJE-WCCKRBBISA-N, BS-43279, CS-0169605, EN300-7646734, (2S)-4,4-Difluoropyrrolidine-2-carbonitrile HCl, (S)-4,4-Difluoropyrrolidine-2-carbonitrilehydrochloride

Application

This fluorinated pyrrolidine derivative serves as a key chiral synthon in medicinal chemistry, particularly for introducing constrained, polar motifs into drug candidates. The difluoro substitution modulates lipophilicity and metabolic stability while the nitrile group offers versatile derivatization potential. Applications include development of cathepsin inhibitors, peptidomimetics, and CNS-targeted therapeutics where the rigid pyrrolidine scaffold enforces specific bioactive conformations. The hydrochloride salt facilitates handling in polar solvents for amide coupling or reduction reactions.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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