| CAS Number | 2059955-76-7 |
| Catalog Number | AG01C0NO |
| Chemical Name | 2,4,4-trifluorocyclohexan-1-one |
| IUPAC Name | 2,4,4-trifluorocyclohexan-1-one |
| InChI | InChI=1S/C6H7F3O/c7-4-3-6(8,9)2-1-5(4)10/h4H,1-3H2 |
| InChI Key | OJBFFBILNCCTEQ-UHFFFAOYSA-N |
| MDL Number | MFCD30498112 |
| Molecular Formula | C6H7F3O |
| Molecular Weight | 152.1144 |
| SMILES | FC1C(=O)CCC(F)(F)C1 |
| Synonyms | 2,4,4-trifluorocyclohexan-1-one,
2059955-76-7,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.116g/mol |
| Monoisotopic Mass | 152.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number