| CAS Number | 1039364-78-7 |
| Catalog Number | AG01DI1R(AGN-PC-0WG48V) |
| Chemical Name | 3,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid |
| IUPAC Name | 3,3-difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C8H8F5NO3/c9-7(10)2-1-3-14(4(7)5(15)16)6(17)8(11,12)13/h4H,1-3H2,(H,15,16) |
| InChI Key | KPRJNVYYIWEUHN-UHFFFAOYSA-N |
| MDL Number | MFCD28343694 |
| Molecular Formula | C8H8F5NO3 |
| Molecular Weight | 261.1460 |
| SMILES | OC(=O)C1N(CCCC1(F)F)C(=O)C(F)(F)F |
| Synonyms | 1039364-78-7,
3,3-Difluoro-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylic acid,
3,3-DIFLUORO-1-(TRIFLUOROACETYL)PIPERIDINE-2-CARBOXYLIC ACID,
MFCD28343694,
FCH3159009,
AS-55015,
TZ000898,
CS-0037648,
1-(Trifluoroacetyl)-3,3-difluoropiperidine-2-carboxylic acid,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.148g/mol |
| Monoisotopic Mass | 261.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number