| CAS Number | 1398570-16-5 |
| Catalog Number | AG01C6J3 |
| Chemical Name | 3,3-bis(fluoromethyl)cyclobutan-1-one |
| IUPAC Name | 3,3-bis(fluoromethyl)cyclobutan-1-one |
| InChI | InChI=1S/C6H8F2O/c7-3-6(4-8)1-5(9)2-6/h1-4H2 |
| InChI Key | DTHOWPFSOJPHSI-UHFFFAOYSA-N |
| MDL Number | MFCD24713355 |
| Molecular Formula | C6H8F2O |
| Molecular Weight | 134.1239 |
| SMILES | FCC1(CC(=O)C1)CF |
| Synonyms | 3,3-bis(fluoromethyl)cyclobutan-1-one,
1398570-16-5,
SCHEMBL12525054,
AKOS026717658,
ZINC204318905,
F2147-5150,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 134.126g/mol |
| Monoisotopic Mass | 134.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number