(R)-2-(2,5-Difluorophenyl)pyrrolidine hydrochloride - ≥98% , CAS No.1218935-60-4

CAS: 1218935-60-4 Cat. No.: R586659 Molecular Weight: 219.66 EC Number: 831-706-4 PubChem CID: 89618473

GRADE & PURITY ≥98%

Synonyms

1218935-60-4 | (r)-2-(2,5-difluorophenyl)pyrrolidine hydrochloride | MFCD08751413 | (r)-2-(2,5-difluorophenyl)pyrrolidinehydrochloride | 2-(2,5-Difluorophenyl)pyrrolidine hydrochloride, (R)- | (2R)-2-(2,5-difluorophenyl)pyrrolidine;hydrochloride | A910039

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

1218935-60-4 | (r)-2-(2, 5-difluorophenyl)pyrrolidine hydrochloride | MFCD08751413 | (r)-2-(2, 5-difluorophenyl)pyrrolidinehydrochloride | 2-(2, 5-Difluorophenyl)pyrrolidine hydrochloride, (R)- | (2R)-2-(2, 5-difluorophenyl)pyrrolidine;hydrochloride | A910039

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC(NC1)C2=C(C=CC(=C2)F)F.Cl
• IUPAC Name: (2R)-2-(2,5-difluorophenyl)pyrrolidine;hydrochloride
• InChIKey: XSWCQOVADZHFIJ-HNCPQSOCSA-N
• INCHI: 1S/C10H11F2N.ClH/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10;/h3-4,6,10,13H,1-2,5H2;1H/t10-;/m1./s1
• Isomeric SMILES: C1C[C@@H](NC1)C2=C(C=CC(=C2)F)F.Cl
• PubChem CID: 89618473
• Molecular Weight: 219.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Fluorobenzenes Aralkylamines Aryl fluorides Pyrroles Dialkylamines Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyrrolidine - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. 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

Chemical and Physical Properties

• Molecular Weight: 219.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 219.063 Da
• Monoisotopic Mass: 219.063 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 174.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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