Determine the necessary mass, volume, or concentration for preparing a solution.
Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1CN(CCC1=O)C2=CC(=C(C=C2)F)F |
|---|---|
| IUPAC Name | 1-(3,4-difluorophenyl)piperidin-4-one |
| InChIKey | OQVXHVMMKRCNKU-UHFFFAOYSA-N |
| INCHI | 1S/C11H11F2NO/c12-10-2-1-8(7-11(10)13)14-5-3-9(15)4-6-14/h1-2,7H,3-6H2 |
| Isómeros SMILES | C1CN(CCC1=O)C2=CC(=C(C=C2)F)F |
| Peso molecular | 211.21 |
| Reaxy-Rn | 8487292 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8487292&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 | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Piperidinones Fluorobenzenes Aryl fluorides Cyclic ketones Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Piperidinone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Tertiary amine - Ketone - Azacycle - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Punto de inflamación (°F) | Not applicable |
|---|---|
| Punto de inflamación (°C) | Not applicable |
| Peso molecular | 211.210 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 211.081 Da |
| Monoisotopic Mass | 211.081 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Reagent Grade grade guide →