≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC(=C(C=C1C(F)(F)F)F)CC(C(=O)O)N |
|---|---|
| IUPAC Name | 2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoic acid |
| InChIKey | OMTZLRBOGCVOEM-UHFFFAOYSA-N |
| INCHI | 1S/C10H9F4NO2/c11-7-4-6(10(12,13)14)2-1-5(7)3-8(15)9(16)17/h1-2,4,8H,3,15H2,(H,16,17) |
| Isomeric SMILES | C1=CC(=C(C=C1C(F)(F)F)F)CC(C(=O)O)N |
| PubChem CID | 5190236 |
| Molecular Weight | 251.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Trifluoromethylbenzenes Alpha amino acids Amphetamines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organic oxides Monoalkylamines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Trifluoromethylbenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 251.180 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 251.057 Da |
| Monoisotopic Mass | 251.057 Da |
| Topological Polar Surface Area | 63.300 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 282.000 |
| 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 |
![2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoic Acid - ≥98% , CAS No.439587-15-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)