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(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride

  • CAS No. 869489-04-3

  • Cat. No. CS-0169605
  • Purity≥97%
  • MDL No.MFCD28403267

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

(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride|CS-0169605

Structure of 869489-04-3

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General Information

  • CAS No. 869489-04-3
  • Cat. No. CS-0169605
  • Purity ≥97%
  • MDL No. MFCD28403267
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇ClF₂N₂
  • Molecular Weight 168.57
  • Synonym(s) None
  • SMILES N#C[C@H]1NCC(F)(F)C1.[H]Cl

Description

(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride is a stereochemically defined, bench-stable building block featuring a fluorinated pyrrolidine core with a nitrile handle. The electron-deficient difluoromethyl group enhances metabolic stability and modulates lipophilicity, while the protonated amine enables straightforward salt formation for improved solubility. This scaffold integrates efficiently into peptidomimetics and bioactive heterocycles.

Application

(S)-4,4-Difluoropyrrolidine-2-carbonitrile hydrochloride serves as a conformationally constrained, fluorinated building block for medicinal chemistry applications. Its rigid pyrrolidine core enhances metabolic stability and modulates physicochemical properties, while the nitrile group enables diverse downstream transformations. The difluoro substitution at C4 imparts enhanced lipophilicity and bioavailability, making it a valuable scaffold for optimizing kinase inhibitors and CNS-targeted therapeutics. The hydrochloride salt ensures excellent bench stability and ease of handling 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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   0.92898
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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