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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 | C1CC2=C(C=CC(=C2)OC(F)(F)F)C(=O)C1 |
|---|---|
| IUPAC Name | 6-(trifluoromethoxy)-3,4-dihydro-2H-naphthalen-1-one |
| InChIKey | RIRDJSLCCPPYKA-UHFFFAOYSA-N |
| INCHI | 1S/C11H9F3O2/c12-11(13,14)16-8-4-5-9-7(6-8)2-1-3-10(9)15/h4-6H,1-3H2 |
| Molecular Weight | 230.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Phenol ethers Aryl alkyl ketones Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetralin - Phenol ether - Aryl ketone - Aryl alkyl ketone - Ketone - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
| Molecular Weight | 230.180 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 230.055 Da |
| Monoisotopic Mass | 230.055 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| 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 |