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CAS 426844-77-1

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2-Pyrrolidinecarbonitrile, 4-fluoro-, hydrochloride (1:1), (2S,4S)-

Description:
2-Pyrrolidinecarbonitrile, 4-fluoro-, hydrochloride (1:1), (2S,4S)- is a chemical compound characterized by its pyrrolidine ring structure, which is a five-membered cyclic amine. The presence of a cyano group (-C≡N) at the carbon adjacent to the nitrogen atom contributes to its reactivity and potential applications in organic synthesis. The 4-fluoro substitution indicates the presence of a fluorine atom at the fourth position of the pyrrolidine ring, which can influence the compound's electronic properties and biological activity. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, enhancing its utility in pharmaceutical formulations. The (2S,4S) designation refers to the specific stereochemistry of the molecule, indicating the spatial arrangement of atoms around the chiral centers, which is crucial for its biological interactions. This compound may be of interest in medicinal chemistry and drug development due to its structural features and potential pharmacological properties.
Formula:C5H7FN2·ClH
InChI:InChI=1S/C5H7FN2.ClH/c6-4-1-5(2-7)8-3-4;/h4-5,8H,1,3H2;1H/t4-,5-;/m0./s1
InChI key:InChIKey=OLZBUMFLINUMEV-FHAQVOQBSA-N
SMILES:C(#N)[C@@H]1C[C@H](F)CN1.Cl
Synonyms:
  • 2-Pyrrolidinecarbonitrile, 4-fluoro-, monohydrochloride, (2S,4S)-
  • (2S,4S)-4-Fluoropyrrolidine-2-carbonitrile hydrochloride
  • 2-Pyrrolidinecarbonitrile, 4-fluoro-, hydrochloride (1:1), (2S,4S)-
  • (2S,4S)-2-Cyano-4-fluoropyrrolidine hydrochloride
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