2,5-Furandione, 3-fluoro- - ≥95% , CAS No.2714-23-0

CAS: 2714-23-0 Cat. No.: F952343 PubChem CID: 12206254

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(C(=O)OC1=O)F
• IUPAC Name: 3-fluorofuran-2,5-dione
• InChIKey: VRWIOXNAJVBAFQ-UHFFFAOYSA-N
• INCHI: 1S/C4HFO3/c5-2-1-3(6)8-4(2)7/h1H
• Isomeric SMILES: C1=C(C(=O)OC1=O)F
• Alternate CAS: 2714-23-0
• PubChem CID: 12206254

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Dicarboxylic acids and derivatives Vinylogous halides Carboxylic acid anhydrides Vinyl fluorides Oxacyclic compounds Fluoroalkenes Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Vinylogous halide - Carboxylic acid derivative - Vinyl fluoride - Vinyl halide - Oxacycle - Haloalkene - Fluoroalkene - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
• 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: 116.050 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 115.991 Da
• Monoisotopic Mass: 115.991 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 1