≥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.
| Canonical Smiles | C1CC(=O)CCC1OC(F)(F)F |
|---|---|
| IUPAC Name | 4-(trifluoromethoxy)cyclohexan-1-one |
| InChIKey | SHUOFWYUHNSVHO-UHFFFAOYSA-N |
| INCHI | 1S/C7H9F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h6H,1-4H2 |
| Isomeric SMILES | C1CC(=O)CCC1OC(F)(F)F |
| Alternate CAS | 2227206-47-3 |
| PubChem CID | 134819025 |
| Molecular Weight | 182.14 |
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 |
| Class | Alkyl halides |
| Subclass | Halomethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trihalomethanes |
| Alternative Parents | Cyclic ketones Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Trihalomethane - Cyclic ketone - Ketone - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 182.140 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 182.055 Da |
| Monoisotopic Mass | 182.055 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 166.000 |
| 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 |
