| CAS Number | 1922897-45-7 |
| Catalog Number | AG01B6QR |
| Chemical Name | 2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]acetic acid hydrochloride |
| IUPAC Name | 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid;hydrochloride |
| InChI | InChI=1S/C9H14F3NO2.ClH/c10-9(11,12)6-13-3-1-7(2-4-13)5-8(14)15;/h7H,1-6H2,(H,14,15);1H |
| InChI Key | PDIMWXKVKCXQJW-UHFFFAOYSA-N |
| MDL Number | MFCD28134351 |
| Molecular Formula | C9H15ClF3NO2 |
| Molecular Weight | 261.6691 |
| SMILES | Cl.OC(CC1CCN(CC(F)(F)F)CC1)=O |
| Synonyms | 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetic acid hydrochloride,
1922897-45-7,
KS-9370,
Z2582143629,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.669g/mol |
| Monoisotopic Mass | 261.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number