| CAS Number | 94994-14-6 |
| Catalog Number | AG01BAX8(AGN-PC-0OO0GR) |
| Chemical Name | [4-(trifluoromethyl)bicyclo[2.2.2]octan-1-yl]methanol |
| IUPAC Name | [4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]methanol |
| InChI | InChI=1S/C10H15F3O/c11-10(12,13)9-4-1-8(7-14,2-5-9)3-6-9/h14H,1-7H2 |
| InChI Key | RSXLNNJTFYAAAV-UHFFFAOYSA-N |
| MDL Number | MFCD31566973 |
| Molecular Formula | C10H15F3O |
| Molecular Weight | 208.2207 |
| SMILES | C1CC2(CCC1(CC2)CO)C(F)(F)F |
| Synonyms | [4-(trifluoromethyl)bicyclo[2.2.2]octan-1-yl]methanol,
94994-14-6,
ZINC224089662,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.224g/mol |
| Monoisotopic Mass | 208.107g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number