≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Pubchem Sid | 504757480 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757480 |
| Canonical Smiles | CC(C)C(=O)CC(=O)C(F)(F)F |
| IUPAC Name | 1,1,1-trifluoro-5-methylhexane-2,4-dione |
| InChIKey | LOTZGJDCTDDVCS-UHFFFAOYSA-N |
| INCHI | 1S/C7H9F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4H,3H2,1-2H3 |
| Isomeric SMILES | CC(C)C(=O)CC(=O)C(F)(F)F |
| Molecular Weight | 182.14 |
| Reaxy-Rn | 1707953 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707953&ln= |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | 1,3-dicarbonyl compounds |
| Direct Parent | Beta-diketones |
| Alternative Parents | Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-diketone - Alpha-haloketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2305924 | Certificate of Analysis | Apr 03, 2026 | M341372 |
| G2305925 | Certificate of Analysis | Apr 03, 2026 | M341372 |
| G2305926 | Certificate of Analysis | Apr 03, 2026 | M341372 |
| G2305993 | Certificate of Analysis | Apr 03, 2026 | M341372 |
| G2305994 | Certificate of Analysis | Apr 03, 2026 | M341372 |
| G2424390 | Certificate of Analysis | Jul 08, 2024 | M341372 |
| G2424391 | Certificate of Analysis | Jul 08, 2024 | M341372 |
| G2305990 | Certificate of Analysis | Jun 19, 2023 | M341372 |
| Molecular Weight | 182.140 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 182.055 Da |
| Monoisotopic Mass | 182.055 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 |
