| CAS Number | 130021-54-4 |
| Catalog Number | AG01C14L |
| Chemical Name | 3,3-Difluoro-2,2-dimethylbutanoic acid |
| IUPAC Name | 3,3-difluoro-2,2-dimethylbutanoic acid |
| InChI | InChI=1S/C6H10F2O2/c1-5(2,4(9)10)6(3,7)8/h1-3H3,(H,9,10) |
| InChI Key | KBPAOLBWGLCGHD-UHFFFAOYSA-N |
| MDL Number | MFCD20658344 |
| Molecular Formula | C6H10F2O2 |
| Molecular Weight | 152.1392 |
| SMILES | FC(C(C(=O)O)(C)C)(C)F |
| Synonyms | 3,3-difluoro-2,2-dimethylbutanoic acid,
130021-54-4,
Butanoic acid, 3,3-difluoro-2,2-dimethyl-,
SCHEMBL9590096,
KBPAOLBWGLCGHD-UHFFFAOYSA-N,
AKOS024049809,
ZINC147825937,
Z2235810205,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.141g/mol |
| Monoisotopic Mass | 152.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number