| CAS Number | 1823315-47-4 |
| Catalog Number | AG00I18F(AGN-PC-0WR2FR) |
| Chemical Name | 3,4,4-Trifluoropiperidine hydrochloride |
| IUPAC Name | 3,4,4-trifluoropiperidine;hydrochloride |
| InChI | InChI=1S/C5H8F3N.ClH/c6-4-3-9-2-1-5(4,7)8;/h4,9H,1-3H2;1H |
| InChI Key | FYHLLFGUFQPYDV-UHFFFAOYSA-N |
| MDL Number | MFCD28119117 |
| Molecular Formula | C5H9ClF3N |
| Molecular Weight | 175.5799 |
| SMILES | Cl.FC1C(F)(F)CCNC1 |
| Synonyms | 3,4,4-Trifluoropiperidine hydrochloride,
1823315-47-4,
3,4,4-Trifluoropiperidine HCl,
MFCD28119117,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.579g/mol |
| Monoisotopic Mass | 175.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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