≥98% 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.
| Canonical Smiles | CC(C)(C)OC(=O)N1[C@H](C(=O)CC1=O)CC2=CC=CC=C2F |
|---|---|
| IUPAC Name | tert-butyl (2S)-2-[(2-fluorophenyl)methyl]-3,5-dioxopyrrolidine-1-carboxylate |
| InChIKey | WNPIFLVSKAAWBV-LBPRGKRZSA-N |
| INCHI | 1S/C16H18FNO4/c1-16(2,3)22-15(21)18-12(13(19)9-14(18)20)8-10-6-4-5-7-11(10)17/h4-7,12H,8-9H2,1-3H3/t12-/m0/s1 |
| Molecular Weight | 307.32 |
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 |
| Class | Pyrrolidines |
| Subclass | Pyrrolidones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxoprolines |
| Alternative Parents | Pyrrolidine carboxylic acids Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides 1,3-dicarbonyl compounds Dicarboximides Carbamate esters Tertiary amines Lactams Cyclic ketones Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - 3-pyrrolidone - 2-pyrrolidone - Dicarboximide - Carbamic acid ester - Cyclic ketone - Tertiary amine - Amino acid or derivatives - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organofluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxoprolines. These are compounds containing an oxoproline moiety, which consists of a pyrrolidine ring bearing a carboxylic acid group at the ring position 2, and a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 307.320 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 307.122 Da |
| Monoisotopic Mass | 307.122 Da |
| Topological Polar Surface Area | 63.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
