| CAS Number | 1355729-67-7 |
| Catalog Number | AG019ZKI |
| Chemical Name | 3-(Difluoromethyl)cyclohexan-1-one |
| IUPAC Name | 3-(difluoromethyl)cyclohexan-1-one |
| InChI | InChI=1S/C7H10F2O/c8-7(9)5-2-1-3-6(10)4-5/h5,7H,1-4H2 |
| InChI Key | AOXSKWSBHVVGMI-UHFFFAOYSA-N |
| MDL Number | MFCD24445639 |
| Molecular Formula | C7H10F2O |
| Molecular Weight | 148.1505 |
| SMILES | FC(C1CC(=O)CCC1)F |
| Synonyms | 3-(difluoromethyl)cyclohexan-1-one,
1355729-67-7,
SCHEMBL14993154,
AKOS024124774,
Z2092396703,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.153g/mol |
| Monoisotopic Mass | 148.07g/mol |
| Rotatable Bond Count | 1 |
| 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