| CAS Number | 1780607-50-2 |
| Catalog Number | AG01BRT3 |
| Chemical Name | ethyl 4,4-difluoropiperidine-3-carboxylate hydrochloride |
| IUPAC Name | ethyl 4,4-difluoropiperidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H13F2NO2.ClH/c1-2-13-7(12)6-5-11-4-3-8(6,9)10;/h6,11H,2-5H2,1H3;1H |
| InChI Key | LRUJWTRXGIHFEQ-UHFFFAOYSA-N |
| MDL Number | MFCD30535876 |
| Molecular Formula | C8H14ClF2NO2 |
| Molecular Weight | 229.6521 |
| SMILES | Cl.CCOC(C1C(F)(F)CCNC1)=O |
| Synonyms | 1780607-50-2,
ethyl 4,4-difluoropiperidine-3-carboxylate hydrochloride,
MFCD30535876,
AKOS034007874,
ETHYL 4,4-DIFLUOROPIPERIDINE-3-CARBOXYLATE HCL,
Z2738925330,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.652g/mol |
| Monoisotopic Mass | 229.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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