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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C1(COC1)C(=O)O)(F)F |
|---|---|
| IUPAC Name | 3-(1,1-difluoroethyl)oxetane-3-carboxylic acid |
| InChIKey | UDBAWMACWWGZTN-UHFFFAOYSA-N |
| INCHI | 1S/C6H8F2O3/c1-5(7,8)6(4(9)10)2-11-3-6/h2-3H2,1H3,(H,9,10) |
| Isómeros SMILES | CC(C1(COC1)C(=O)O)(F)F |
| PubChem CID | 105432883 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxetanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxetanes |
| Alternative Parents | Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxetane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organohalogen compound - Carbonyl group - Alkyl halide - Organofluoride - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 166.120 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 166.044 Da |
| Monoisotopic Mass | 166.044 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |