4,4-difluoropyrrolidine-3-carboxylic acid;hydrochloride - ≥97% , CAS No.1779788-81-6

CAS: 1779788-81-6 Cat. No.: D637769 EC Number: 873-050-1 PubChem CID: 84719098

GRADE & PURITY ≥97%

Synonyms

4,4-difluoropyrrolidine-3-carboxylic acid;hydrochloride | 4,4-DIFLUOROPYRROLIDINE-3-CARBOXYLICACIDHCL | EN300-1605420 | 4,4-DIFLUOROPYRROLIDINE-3-CARBOXYLIC ACID HCL | AKOS024128212 | 4,4-difluoropyrrolidine-3-carboxylic acid hydrochloride | MFCD28541198

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4, 4-difluoropyrrolidine-3-carboxylic acid;hydrochloride | 4, 4-DIFLUOROPYRROLIDINE-3-CARBOXYLICACIDHCL | EN300-1605420 | 4, 4-DIFLUOROPYRROLIDINE-3-CARBOXYLIC ACID HCL | AKOS024128212 | 4, 4-difluoropyrrolidine-3-carboxylic acid hydrochloride | MFCD28541198

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(C(CN1)(F)F)C(=O)O.Cl
• IUPAC Name: 4,4-difluoropyrrolidine-3-carboxylic acid;hydrochloride
• InChIKey: XSSUBTKTJGVHAW-UHFFFAOYSA-N
• INCHI: 1S/C5H7F2NO2.ClH/c6-5(7)2-8-1-3(5)4(9)10;/h3,8H,1-2H2,(H,9,10);1H
• Isomeric SMILES: C1C(C(CN1)(F)F)C(=O)O.Cl
• Alternate CAS: 1779788-81-6
• PubChem CID: 84719098

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Heterocyclic fatty acids Halogenated fatty acids Branched fatty acids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Heterocyclic fatty acid - Halogenated fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Amino acid - Amino acid or derivatives - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y