| CAS Number | 1892397-17-9 |
| Catalog Number | AG01BGI3 |
| Chemical Name | 4,4-difluoro-3,3-dimethylbutanoic acid |
| IUPAC Name | 4,4-difluoro-3,3-dimethylbutanoic acid |
| InChI | InChI=1S/C6H10F2O2/c1-6(2,5(7)8)3-4(9)10/h5H,3H2,1-2H3,(H,9,10) |
| InChI Key | GFVUMPMTUSZRAR-UHFFFAOYSA-N |
| MDL Number | MFCD29942126 |
| Molecular Formula | C6H10F2O2 |
| Molecular Weight | 152.1392 |
| SMILES | CC(C(F)F)(CC(O)=O)C |
| Synonyms | 4,4-difluoro-3,3-dimethylbutanoic acid,
1892397-17-9,
SCHEMBL18762513,
AKOS034072191,
ZINC259133800,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number