| CAS Number | 1000934-03-1 |
| Catalog Number | AG019ME8 |
| Chemical Name | 3-(Trifluoromethyl)piperidin-2-one |
| IUPAC Name | 3-(trifluoromethyl)piperidin-2-one |
| InChI | InChI=1S/C6H8F3NO/c7-6(8,9)4-2-1-3-10-5(4)11/h4H,1-3H2,(H,10,11) |
| InChI Key | WDEBTTOBFKEZBC-UHFFFAOYSA-N |
| MDL Number | MFCD09802218 |
| Molecular Formula | C6H8F3NO |
| Molecular Weight | 167.1290 |
| SMILES | FC(C1CCCNC1=O)(F)F |
| Synonyms | 3-(trifluoromethyl)piperidin-2-one,
1000934-03-1,
AC1Q4JVR,
CTK7B6904,
MFCD09802218,
AKOS034078663,
MCULE-2227821927,
NE26150,
EN300-35893,
Z291279280,
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| 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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Certificate of Analysis
Lot Number