| CAS Number | 1909320-19-9 |
| Catalog Number | AG01C5KT |
| Chemical Name | 1-[2-(trifluoromethoxy)ethyl]piperazine dihydrochloride |
| IUPAC Name | 1-[2-(trifluoromethoxy)ethyl]piperazine;dihydrochloride |
| InChI | InChI=1S/C7H13F3N2O.2ClH/c8-7(9,10)13-6-5-12-3-1-11-2-4-12;;/h11H,1-6H2;2*1H |
| InChI Key | XUUZBVWJOFTCGS-UHFFFAOYSA-N |
| MDL Number | MFCD29763440 |
| Molecular Formula | C7H15Cl2F3N2O |
| Molecular Weight | 271.1080 |
| SMILES | Cl.Cl.FC(OCCN1CCNCC1)(F)F |
| Synonyms | 1-[2-(trifluoromethoxy)ethyl]piperazine dihydrochloride,
1909320-19-9,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.105g/mol |
| Monoisotopic Mass | 270.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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