| CAS Number | 866050-34-2 |
| Catalog Number | AG00IV1F(AGN-PC-0WAVJ9) |
| Chemical Name | 1-(4-Cyclohexylphenyl)-4,4,4-trifluoro-1,3-butanedione |
| IUPAC Name | 1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione |
| InChI | InChI=1S/C16H17F3O2/c17-16(18,19)15(21)10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2 |
| InChI Key | RDNMCZBUTGHVSM-UHFFFAOYSA-N |
| MDL Number | MFCD03421404 |
| Molecular Formula | C16H17F3O2 |
| Molecular Weight | 298.3002 |
| SMILES | FC(F)(F)C(=O)CC(=O)C2(=CC=C(C1(CCCCC1))C=C2) |
| Synonyms | 866050-34-2,
1-(4-cyclohexylphenyl)-4,4,4-trifluoro-1,3-butanedione,
1-(4-cyclohexylphenyl)-4,4,4-trifluorobutane-1,3-dione,
AC1MWQK6,
KS-00001YWS,
AKOS005099423,
ZINC100919964,
MCULE-2384980213,
6W-0305,
CID3753475,
1-(4-cyclohexylphenyl)-4,4,4-trifluoro-butane-1,3-dione,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.305g/mol |
| Monoisotopic Mass | 298.118g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number