≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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)N1CC(C(=O)C1)F |
|---|---|
| IUPAC Name | tert-butyl 3-fluoro-4-oxopyrrolidine-1-carboxylate |
| InChIKey | HPHVNLXMQXEDFX-UHFFFAOYSA-N |
| INCHI | 1S/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC(C(=O)C1)F |
| PubChem CID | 45158916 |
| Molecular Weight | 203.21 |
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 Pyrrolidine-3-ones Carbamate esters Alpha-haloketones Tertiary amines Cyclic ketones Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 3-pyrrolidone - Alpha-haloketone - Carbamic acid ester - Ketone - Tertiary amine - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl fluoride - Alkyl halide - Aliphatic 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 |
| Melt Point(°C) | 81-82 |
|---|---|
| Molecular Weight | 203.210 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 203.096 Da |
| Monoisotopic Mass | 203.096 Da |
| Topological Polar Surface Area | 46.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
L2525337