| CAS Number | 1315368-84-3 |
| Catalog Number | AG01AJ6T(AGN-PC-0WOUV7) |
| Chemical Name | 3,3-Bis(trifluoromethyl)pyrrolidine hydrochloride |
| IUPAC Name | 3,3-bis(trifluoromethyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C6H7F6N.ClH/c7-5(8,9)4(6(10,11)12)1-2-13-3-4;/h13H,1-3H2;1H |
| InChI Key | IOELUPWFNZWTOB-UHFFFAOYSA-N |
| MDL Number | MFCD19382107 |
| Molecular Formula | C6H8ClF6N |
| Molecular Weight | 243.5778 |
| SMILES | C1CNCC1(C(F)(F)F)C(F)(F)F.Cl |
| Synonyms | 3,3-bis(trifluoromethyl)pyrrolidine hydrochloride,
1315368-84-3,
AKOS025440391,
MCULE-4637171668,
NE23548,
EN300-79916,
Z1269638448,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.577g/mol |
| Monoisotopic Mass | 243.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number