≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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.
| Sourires canoniques | CC1(CCC(CC1)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 4,4-difluoro-1-methylcyclohexane-1-carboxylic acid |
| InChIKey | BKYRECMZIBZSSR-UHFFFAOYSA-N |
| INCHI | 1S/C8H12F2O2/c1-7(6(11)12)2-4-8(9,10)5-3-7/h2-5H2,1H3,(H,11,12) |
| Isomères SMILES | CC1(CCC(CC1)(F)F)C(=O)O |
| PubChem CID | 53445124 |
| Poids moléculaire | 178.179 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Classe | Alkyl halides |
| Subclass | Cyclohexyl halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclohexyl halides |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclohexyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom. |
| External Descriptors | Not available |
| Poids moléculaire | 178.180 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.081 Da |
| Monoisotopic Mass | 178.081 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |
