| CAS Number | 1178833-49-2 |
| Catalog Number | AG01A8AC(AGN-PC-0WNO9W) |
| Chemical Name | 1-(2,2-Difluoroethyl)piperidin-4-one |
| IUPAC Name | 1-(2,2-difluoroethyl)piperidin-4-one |
| InChI | InChI=1S/C7H11F2NO/c8-7(9)5-10-3-1-6(11)2-4-10/h7H,1-5H2 |
| InChI Key | DYLIPBUMUVWHAZ-UHFFFAOYSA-N |
| MDL Number | MFCD12768588 |
| Molecular Formula | C7H11F2NO |
| Molecular Weight | 163.1651 |
| SMILES | FC(CN1CCC(=O)CC1)F |
| Synonyms | 1-(2,2-difluoroethyl)piperidin-4-one,
1178833-49-2,
AC1Q4KNI,
SCHEMBL165151,
CTK7B7139,
DYLIPBUMUVWHAZ-UHFFFAOYSA-N,
MFCD12768588,
ZINC37755988,
AKOS010144706,
MCULE-2471272429,
NE43854,
EN300-61146,
A1-03453,
Z993991172,
1-2 weeks,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.168g/mol |
| Monoisotopic Mass | 163.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number