3-(difluoromethoxy)cyclohexanecarboxylic acid - ≥97% , CAS No.1785357-04-1

CAS: 1785357-04-1 Cat. No.: C630449 Molecular Weight: 194.18 PubChem CID: 84720259

GRADE & PURITY ≥97%

Synonyms

1785357-04-1 | 3-(difluoromethoxy)cyclohexanecarboxylic acid | 3-(Difluoromethoxy)cyclohexane-1-carboxylic acid | MFCD28541647 | PB41349 | AS-84578 | D79052

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1785357-04-1 | 3-(difluoromethoxy)cyclohexanecarboxylic acid | 3-(Difluoromethoxy)cyclohexane-1-carboxylic acid | MFCD28541647 | PB41349 | AS-84578 | D79052

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(CC(C1)OC(F)F)C(=O)O
• IUPAC Name: 3-(difluoromethoxy)cyclohexane-1-carboxylic acid
• InChIKey: SEIPGZGIMNJHJU-UHFFFAOYSA-N
• INCHI: 1S/C8H12F2O3/c9-8(10)13-6-3-1-2-5(4-6)7(11)12/h5-6,8H,1-4H2,(H,11,12)
• Isomeric SMILES: C1CC(CC(C1)OC(F)F)C(=O)O
• PubChem CID: 84720259
• Molecular Weight: 194.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Branched fatty acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Halogenated fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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