| CAS Number | 29548-93-4 |
| Catalog Number | AG00BICV(AGN-PC-0WOFWE) |
| Chemical Name | 2,2-Difluorocyclohexanone |
| IUPAC Name | 2,2-difluorocyclohexan-1-one |
| InChI | InChI=1S/C6H8F2O/c7-6(8)4-2-1-3-5(6)9/h1-4H2 |
| InChI Key | CDIGRNREFSHYLH-UHFFFAOYSA-N |
| MDL Number | MFCD21338320 |
| Molecular Formula | C6H8F2O |
| Molecular Weight | 134.1239 |
| SMILES | FC1(C(CCCC1)=O)F |
| Synonyms | 2,2-difluorocyclohexanone,
29548-93-4,
2,2-difluorocyclohexan-1-one,
2,2-difluoro-cyclohexan-1-one,
SCHEMBL12478883,
AKOS015907572,
CS-0055756,
I14-21158,
|
| Complexity | 131 |
| 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 | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number