≥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)N1CCCC1(CC2=CC(=CC=C2)C(F)(F)F)C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid |
| InChIKey | WXGUGSIKOXDJSI-KRWDZBQOSA-N |
| INCHI | 1S/C18H22F3NO4/c1-16(2,3)26-15(25)22-9-5-8-17(22,14(23)24)11-12-6-4-7-13(10-12)18(19,20)21/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,23,24)/t17-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC(=CC=C2)C(F)(F)F)C(=O)O |
| PubChem CID | 7145503 |
| Molecular Weight | 373.38 |
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 | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Trifluoromethylbenzenes Amphetamines and derivatives Alpha amino acids and derivatives Pyrrolidine carboxylic acids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Trifluoromethylbenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| Molecular Weight | 373.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 373.15 Da |
| Monoisotopic Mass | 373.15 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 544.000 |
| 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 |
