| CAS Number | 2366-61-2 |
| Catalog Number | AG01ADQ3(AGN-PC-004TN9) |
| Chemical Name | 3,3-Difluorobutanoic Acid |
| IUPAC Name | 3,3-difluorobutanoic acid |
| InChI | InChI=1S/C4H6F2O2/c1-4(5,6)2-3(7)8/h2H2,1H3,(H,7,8) |
| InChI Key | FFQIQSUQSSESSS-UHFFFAOYSA-N |
| MDL Number | MFCD19229695 |
| Molecular Formula | C4H6F2O2 |
| Molecular Weight | 124.0860 |
| SMILES | CC(CC(=O)O)(F)F |
| Synonyms | 3,3-difluorobutanoic Acid,
2366-61-2,
SCHEMBL1032055,
FFQIQSUQSSESSS-UHFFFAOYSA-N,
2,2-difluoropropanecarboxylic acid,
MFCD19229695,
ZINC82088685,
AKOS006378689,
MCULE-2075069695,
NE20254,
Z1852016726,
CID11228790,
|
| Complexity | 100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.087g/mol |
| Monoisotopic Mass | 124.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number