| CAS Number | 1342709-61-8 |
| Catalog Number | AG00HTA2(AGN-PC-0WOT3D) |
| Chemical Name | 2,2,2-trifluoro-1-(oxan-3-yl)ethan-1-ol |
| IUPAC Name | 2,2,2-trifluoro-1-(oxan-3-yl)ethanol |
| InChI | InChI=1S/C7H11F3O2/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6,11H,1-4H2 |
| InChI Key | SHAJQTRIUSHNPO-UHFFFAOYSA-N |
| MDL Number | MFCD18877729 |
| Molecular Formula | C7H11F3O2 |
| Molecular Weight | 184.1562 |
| SMILES | OC(C(F)(F)F)C1COCCC1 |
| Synonyms | 2,2,2-trifluoro-1-(oxan-3-yl)ethan-1-ol,
1342709-61-8,
2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-3-YL)ETHANOL,
AKOS013050599,
NE22883,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.158g/mol |
| Monoisotopic Mass | 184.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number