≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1C(CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | 5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid |
| InChIKey | XEGOMPWWQGMOQJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H10F3NO4/c13-12(14,15)20-9-3-1-8(2-4-9)16-6-7(11(18)19)5-10(16)17/h1-4,7H,5-6H2,(H,18,19) |
| Molecular Weight | 289.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Trihalomethanes Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Trihalomethane - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organopnictogen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Halomethane - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 289.210 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 289.056 Da |
| Monoisotopic Mass | 289.056 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 391.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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