| CAS Number | 50586-00-0 |
| Catalog Number | AG01A2KW(AGN-PC-0WOVSM) |
| Chemical Name | 1-(2,2,2-Trifluoroethyl)piperidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)5-12-3-1-2-6(4-12)7(13)14;/h6H,1-5H2,(H,13,14);1H |
| InChI Key | PKHVDKLUQDSIMY-UHFFFAOYSA-N |
| MDL Number | MFCD22578635 |
| Molecular Formula | C8H13ClF3NO2 |
| Molecular Weight | 247.6425 |
| SMILES | Cl.OC(C1CN(CC(F)(F)F)CCC1)=O |
| Synonyms | 1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid hydrochloride,
50586-00-0,
AKOS016903495,
KS-9368,
MCULE-6873984276,
NE20519,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.642g/mol |
| Monoisotopic Mass | 247.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number