| CAS Number | 1427378-67-3 |
| Catalog Number | AG01A4A5(AGN-PC-0WOD50) |
| Chemical Name | 2-[4-(Trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride |
| IUPAC Name | 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride |
| InChI | InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14;/h6H,1-5H2,(H,13,14);1H |
| InChI Key | JKDPZUMILKHNAM-UHFFFAOYSA-N |
| MDL Number | MFCD23144300 |
| Molecular Formula | C8H13ClF3NO2 |
| Molecular Weight | 247.6425 |
| SMILES | Cl.OC(CN1CCC(C(F)(F)F)CC1)=O |
| Synonyms | 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid hydrochloride,
1427378-67-3,
CHEMBL3498152,
AKOS026730325,
MCULE-8091052527,
NE46187,
2-(4-trifluoromethylpiperidin-1-yl)acetic acid hydrochloride,
C8H13ClF3NO2,
N/A,
|
| Complexity | 209 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number