| CAS Number | 1613292-86-6 |
| Catalog Number | AG01C162 |
| Chemical Name | 2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol hydrochloride |
| IUPAC Name | 2,2,2-trifluoro-1-pyrrolidin-3-ylethanol;hydrochloride |
| InChI | InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(11)4-1-2-10-3-4;/h4-5,10-11H,1-3H2;1H |
| InChI Key | CZJZHAQYJZVJSZ-UHFFFAOYSA-N |
| MDL Number | MFCD29047250 |
| Molecular Formula | C6H11ClF3NO |
| Molecular Weight | 205.6058 |
| SMILES | Cl.OC(C(F)(F)F)C1CNCC1 |
| Synonyms | 2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol hydrochloride,
1613292-86-6,
SCHEMBL15777314,
CZJZHAQYJZVJSZ-UHFFFAOYSA-N,
2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethanol hydrochloride,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.605g/mol |
| Monoisotopic Mass | 205.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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