| CAS Number | 1160246-21-8 |
| Catalog Number | AG00JFVV(AGN-PC-0WBCMI) |
| Chemical Name | 2-[1-(2,2-Difluoroethyl)piperidin-4-yl]acetic acid |
| IUPAC Name | 2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid |
| InChI | InChI=1S/C9H15F2NO2/c10-8(11)6-12-3-1-7(2-4-12)5-9(13)14/h7-8H,1-6H2,(H,13,14) |
| InChI Key | DFUVQEJYNQRCES-UHFFFAOYSA-N |
| MDL Number | MFCD11215380 |
| Molecular Formula | C9H15F2NO2 |
| Molecular Weight | 207.2177 |
| SMILES | OC(CC1CCN(CC(F)F)CC1)=O |
| Synonyms | 1160246-21-8,
[1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid,
2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid,
2-[1-(2,2-difluoroethyl)-4-piperidyl]acetic acid,
MFCD11215380,
SBB026867,
STK510277,
ZINC35655600,
AKOS005169154,
MCULE-1718147578,
ST45135659,
EN300-92513,
Z2106601590,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.221g/mol |
| Monoisotopic Mass | 207.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
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Certificate of Analysis
Lot Number