methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate - ≥97% , CAS No.262851-99-0

CAS: 262851-99-0 Cat. No.: M633233 Molecular Weight: 144.15 PubChem CID: 23237088

GRADE & PURITY ≥97%

Synonyms

262851-99-0 | methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-, methyl ester (9CI) | MFCD31705884 | CID 23237088 | D97128 | methyl3-fluorobicyclo[1.1.1]pentane-1-carboxylate | 3-Fluorobicyclo[1.1.1]pe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

262851-99-0 | methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-fluoro-, methyl ester (9CI) | MFCD31705884 | CID 23237088 | D97128 | methyl3-fluorobicyclo[1.1.1]pentane-1-carboxylate | 3-Fluorobicyclo[1.1.1]pe

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C12CC(C1)(C2)F
• IUPAC Name: methyl 3-fluorobicyclo[1.1.1]pentane-1-carboxylate
• InChIKey: RVVFAWVQBGJNAA-UHFFFAOYSA-N
• INCHI: 1S/C7H9FO2/c1-10-5(9)6-2-7(8,3-6)4-6/h2-4H2,1H3
• Isomeric SMILES: COC(=O)C12CC(C1)(C2)F
• PubChem CID: 23237088
• Molecular Weight: 144.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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