≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504766295 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766295 |
| Canonical Smiles | CC(C)(C)OC(=O)N1CC=C(C1)C(F)(F)F |
| IUPAC Name | tert-butyl 3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxylate |
| InChIKey | VYTGKLCSSXKVTE-UHFFFAOYSA-N |
| INCHI | 1S/C10H14F3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h4H,5-6H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CC=C(C1)C(F)(F)F |
| PubChem CID | 11322337 |
| Molecular Weight | 237.22 |
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 | Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Pyrroline carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2626093 | Certificate of Analysis | Jun 04, 2026 | T400870 |
| F22041011 | Certificate of Analysis | Mar 13, 2026 | T400870 |
| F22041012 | Certificate of Analysis | Mar 13, 2026 | T400870 |
| F2204780 | Certificate of Analysis | Mar 13, 2026 | T400870 |
| L2404176 | Certificate of Analysis | Feb 18, 2022 | T400870 |
| Molecular Weight | 237.220 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.098 Da |
| Monoisotopic Mass | 237.098 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| 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 |
