| CAS Number | 1194765-43-9 |
| Catalog Number | AG01BTJX |
| Chemical Name | 6,6,6-trifluorohexan-3-one |
| IUPAC Name | 6,6,6-trifluorohexan-3-one |
| InChI | InChI=1S/C6H9F3O/c1-2-5(10)3-4-6(7,8)9/h2-4H2,1H3 |
| InChI Key | LKEYHSAKBVEOJQ-UHFFFAOYSA-N |
| MDL Number | MFCD20353439 |
| Molecular Formula | C6H9F3O |
| Molecular Weight | 154.1303 |
| SMILES | CCC(CCC(F)(F)F)=O |
| Synonyms | 6,6,6-trifluorohexan-3-one,
1194765-43-9,
SCHEMBL4257794,
ZINC70915070,
AKOS013891513,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.132g/mol |
| Monoisotopic Mass | 154.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number