| CAS Number | 73193-62-1 |
| Catalog Number | AG00ICDE(AGN-PC-0COUC2) |
| Chemical Name | 2,2,2-Trifluoro-1-(3-hydroxy-1-piperidinyl)ethanone |
| IUPAC Name | 2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone |
| InChI | InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-3-1-2-5(12)4-11/h5,12H,1-4H2 |
| InChI Key | PBTYRDMHPNDRSR-UHFFFAOYSA-N |
| MDL Number | MFCD12777054 |
| Molecular Formula | C7H10F3NO2 |
| Molecular Weight | 197.1550 |
| SMILES | OC1CCCN(C1)C(=O)C(F)(F)F |
| Synonyms | 2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone,
73193-62-1,
SCHEMBL2069609,
PBTYRDMHPNDRSR-UHFFFAOYSA-N,
1-Trifluoroacetyl-3-hydroxypiperidine,
AKOS010227130,
F1908-1227,
2,2,2-trifluoro-1-(3-hydroxypiperidin-1-yl)ethan-1-one,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.157g/mol |
| Monoisotopic Mass | 197.066g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number