| CAS Number | 1690112-93-6 |
| Catalog Number | AG01BFNO(AGN-PC-0WOQQ4) |
| Chemical Name | (3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol |
| IUPAC Name | (3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol |
| InChI | InChI=1S/C6H11F2NO2/c7-6(8)3-9-1-4(10)5(11)2-9/h4-6,10-11H,1-3H2/t4-,5+ |
| InChI Key | VCHJFTHAYVVEPI-SYDPRGILSA-N |
| MDL Number | MFCD21919590 |
| Molecular Formula | C6H11F2NO2 |
| Molecular Weight | 167.1538 |
| SMILES | O[C@@H]1CN(C[C@@H]1O)CC(F)F |
| Synonyms | (3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol,
1690112-93-6,
ZINC86331778,
AKOS017973517,
FCH5048286,
NE58470,
BBV-41912308,
EN300-187733,
1-(2,2-difluoroethyl)pyrrolidine-3,4-diol, cis,
Z1354785445,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.156g/mol |
| Monoisotopic Mass | 167.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number