[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol - ≥97% , CAS No.1932616-77-7

CAS: 1932616-77-7 Cat. No.: M631152 Molecular Weight: 133.16 PubChem CID: 60002610

GRADE & PURITY ≥97%

Synonyms

1932616-77-7 | [(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol | [(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol | ((2S,4S)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol | SCHEMBL85473 | MFCD22394360 | D97026

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1932616-77-7 | [(2S, 4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]methanol | [(2S, 4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol | ((2S, 4S)-4-Fluoro-1-methylpyrrolidin-2-yl)methanol | SCHEMBL85473 | MFCD22394360 | D97026

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1CC(CC1CO)F
• IUPAC Name: [(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methanol
• InChIKey: PVVBFPXFGPDGGN-WDSKDSINSA-N
• INCHI: 1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
• Isomeric SMILES: CN1C[C@H](C[C@H]1CO)F
• PubChem CID: 60002610
• Molecular Weight: 133.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass N-alkylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: N-alkylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpyrrolidines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. 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