| CAS Number | 1461713-56-3 |
| Catalog Number | AG00IL93(AGN-PC-0WRAJ3) |
| Chemical Name | 3-(Difluoromethyl)cyclobutan-1-one |
| IUPAC Name | 3-(difluoromethyl)cyclobutan-1-one |
| InChI | InChI=1S/C5H6F2O/c6-5(7)3-1-4(8)2-3/h3,5H,1-2H2 |
| InChI Key | UDAWRARKBZEJTR-UHFFFAOYSA-N |
| MDL Number | MFCD25371848 |
| Molecular Formula | C5H6F2O |
| Molecular Weight | 120.0973 |
| SMILES | FC(F)C1CC(=O)C1 |
| Synonyms | 3-(difluoromethyl)cyclobutan-1-one,
1461713-56-3,
3-(Difluoromethyl)cyclobutanone,
SCHEMBL17731806,
MFCD25371848,
ZINC95348240,
AKOS026726128,
NE47312,
AS-55084,
CS-0051693,
F8888-6854,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.099g/mol |
| Monoisotopic Mass | 120.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number