≥98% 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.
| Canonical Smiles | C1CC1C(=O)CC(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 1-cyclopropyl-4,4,4-trifluorobutane-1,3-dione |
| InChIKey | LTTCLMXHNACGKU-UHFFFAOYSA-N |
| INCHI | 1S/C7H7F3O2/c8-7(9,10)6(12)3-5(11)4-1-2-4/h4H,1-3H2 |
| Isomeric SMILES | C1CC1C(=O)CC(=O)C(F)(F)F |
| PubChem CID | 11194673 |
| Molecular Weight | 180.13 |
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 homomonocyclic compounds |
| Substituents | 1,3-diketone - Alpha-haloketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic 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 |
|---|---|---|---|
 A2616336 | Certificate of Analysis | Oct 30, 2025 | C725684 |
| A2616338 | Certificate of Analysis | Oct 30, 2025 | C725684 |
| A2616339 | Certificate of Analysis | Oct 30, 2025 | C725684 |
| A2616342 | Certificate of Analysis | Oct 30, 2025 | C725684 |
| Molecular Weight | 180.120 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.04 Da |
| Monoisotopic Mass | 180.04 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |
