| CAS Number | 1343181-22-5 |
| Catalog Number | AG01AT0E |
| Chemical Name | 1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-ol |
| IUPAC Name | 1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol |
| InChI | InChI=1S/C10H11F3N2O/c11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15/h1-2,5,8,16H,3-4,6H2 |
| InChI Key | LWZSQDGTNWMIBK-UHFFFAOYSA-N |
| MDL Number | MFCD17248751 |
| Molecular Formula | C10H11F3N2O |
| Molecular Weight | 232.2023 |
| SMILES | OC1CN(C2=NC=C(C(F)(F)F)C=C2)CC1 |
| Synonyms | 1343181-22-5,
1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-ol,
1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol,
SCHEMBL10107061,
AKOS012214460,
F2167-0816,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.206g/mol |
| Monoisotopic Mass | 232.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number