| CAS Number | 107018-38-2 |
| Catalog Number | AG01A41B(AGN-PC-0OWQ9Z) |
| Chemical Name | 1-Cyclohexyl-2,2,2-Trifluoroethan-1-Ol |
| IUPAC Name | 1-cyclohexyl-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C8H13F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2 |
| InChI Key | WDWKMZMIJJTUES-UHFFFAOYSA-N |
| MDL Number | MFCD16067889 |
| Molecular Formula | C8H13F3O |
| Molecular Weight | 182.1834 |
| SMILES | OC(C1CCCCC1)C(F)(F)F |
| Synonyms | 1-cyclohexyl-2,2,2-trifluoroethan-1-ol,
107018-38-2,
1-cyclohexyl-2,2,2-trifluoroethanol,
2,2,2-trifluoro-1-(cyclohexyl)ethanol,
1-cyclohexyl-2,2,2-trifluoro-ethanol,
SCHEMBL307895,
WDWKMZMIJJTUES-UHFFFAOYSA-N,
2,2,2-trifluoro-1-cyclohexylethanol,
AKOS010909726,
NE29535,
CID10943092,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.186g/mol |
| Monoisotopic Mass | 182.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number