≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 | CCC(=O)C1=CC=C(C=C1)OC(F)(F)F |
|---|---|
| IUPAC Name | 1-[4-(trifluoromethoxy)phenyl]propan-1-one |
| InChIKey | OIEBTEWPPOJOGI-UHFFFAOYSA-N |
| INCHI | 1S/C10H9F3O2/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6H,2H2,1H3 |
| Isomeric SMILES | CCC(=O)C1=CC=C(C=C1)OC(F)(F)F |
| PubChem CID | 44153101 |
| Molecular Weight | 218.17 |
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 | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Phenylpropane - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Alkyl halide - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 218.170 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 218.055 Da |
| Monoisotopic Mass | 218.055 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
