| CAS Number | 1536988-56-3 |
| Catalog Number | AG01C3CX |
| Chemical Name | 4,4-difluoro-2,2-dimethylbutanoic acid |
| IUPAC Name | 4,4-difluoro-2,2-dimethylbutanoic acid |
| InChI | InChI=1S/C6H10F2O2/c1-6(2,5(9)10)3-4(7)8/h4H,3H2,1-2H3,(H,9,10) |
| InChI Key | CXEPIJBZFSIYOY-UHFFFAOYSA-N |
| MDL Number | MFCD21922058 |
| Molecular Formula | C6H10F2O2 |
| Molecular Weight | 152.1392 |
| SMILES | CC(C(O)=O)(CC(F)F)C |
| Synonyms | 4,4-difluoro-2,2-dimethylbutanoic acid,
1536988-56-3,
SCHEMBL19815444,
ZINC86339423,
AKOS017980710,
F2147-4546,
Z2327884082,
|
| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number