| CAS Number | 1394040-82-4 |
| Catalog Number | AG01AIMV |
| Chemical Name | 6-(Trifluoromethyl)piperidin-2-one |
| IUPAC Name | 6-(trifluoromethyl)piperidin-2-one |
| InChI | InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h4H,1-3H2,(H,10,11) |
| InChI Key | DIJXEGUOBRBICZ-UHFFFAOYSA-N |
| MDL Number | MFCD22375431 |
| Molecular Formula | C6H8F3NO |
| Molecular Weight | 167.1290 |
| SMILES | O=C1NC(C(F)(F)F)CCC1 |
| Synonyms | 6-(trifluoromethyl)piperidin-2-one,
1394040-82-4,
CTK7H3770,
6-(Trifluoromethyl)piperidine-2-one,
MCULE-7353352101,
NE17766,
RP22978,
4,5-DIHYDRO-6-TRIFLUOROMETHYL-2(1H)-PYRIDONE,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.131g/mol |
| Monoisotopic Mass | 167.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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