| CAS Number | 1022154-50-2 |
| Catalog Number | AG00RYC2(AGN-PC-0WOTC9) |
| Chemical Name | 3,3-Difluoro-2,2-dimethylpropanoic acid |
| IUPAC Name | 3,3-difluoro-2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C5H8F2O2/c1-5(2,3(6)7)4(8)9/h3H,1-2H3,(H,8,9) |
| InChI Key | CJUCPGKPFFVMPL-UHFFFAOYSA-N |
| MDL Number | MFCD19231629 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.1126 |
| SMILES | CC(C)(C(F)F)C(=O)O |
| Synonyms | 3,3-difluoro-2,2-dimethylpropanoic acid,
1022154-50-2,
Propanoic acid, 3,3-difluoro-2,2-dimethyl-,
SCHEMBL10411794,
CJUCPGKPFFVMPL-UHFFFAOYSA-N,
MFCD19231629,
ZINC98209698,
AKOS006387720,
BS-13170,
F8888-1921,
Z1945984126,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.114g/mol |
| Monoisotopic Mass | 138.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number