| CAS Number | 1955493-11-4 |
| Catalog Number | AG01B4O2 |
| Chemical Name | 4-(Trifluoromethyl)piperidine-2-carboxylic acid hydrochloride |
| IUPAC Name | 4-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H10F3NO2.ClH/c8-7(9,10)4-1-2-11-5(3-4)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H |
| InChI Key | AUVSQLGRTJCCRX-UHFFFAOYSA-N |
| MDL Number | MFCD30180872 |
| Molecular Formula | C7H11ClF3NO2 |
| Molecular Weight | 233.6159 |
| SMILES | Cl.OC(C1NCCC(C(F)(F)F)C1)=O |
| Synonyms | 1955493-11-4,
4-(trifluoromethyl)piperidine-2-carboxylic acid hydrochloride,
4-(trifluoromethyl)piperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.043041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.61g/mol |
| Monoisotopic Mass | 233.043041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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