≥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)N1CC=C(C1)OS(=O)(=O)C(F)(F)F |
|---|---|
| IUPAC Name | tert-butyl 3-(trifluoromethylsulfonyloxy)-2,5-dihydropyrrole-1-carboxylate |
| InChIKey | FXWRRWKJFCPRBG-UHFFFAOYSA-N |
| INCHI | 1S/C10H14F3NO5S/c1-9(2,3)18-8(15)14-5-4-7(6-14)19-20(16,17)10(11,12)13/h4H,5-6H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC=C(C1)OS(=O)(=O)C(F)(F)F |
| PubChem CID | 59648037 |
| Molecular Weight | 317.29 |
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 | Pyrrolines |
| Subclass | Pyrroline carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroline carboxylic acids |
| Alternative Parents | Trifluoromethanesulfonates Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Carbamate esters Trihalomethanes Tertiary amines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrroline carboxylic acid - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbamic acid ester - Sulfonyl - Trihalomethane - Tertiary amine - Azacycle - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Molecular Weight | 317.280 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 317.054 Da |
| Monoisotopic Mass | 317.054 Da |
| Topological Polar Surface Area | 81.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 512.000 |
| 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 |
