| CAS Number | 1226507-56-7 |
| Catalog Number | AG01AFRB(AGN-PC-0WO4C2) |
| Chemical Name | 2,2,2-trifluoro-1-(tetrahydrofuran-3-yl)ethanol |
| IUPAC Name | 2,2,2-trifluoro-1-(oxolan-3-yl)ethanol |
| InChI | InChI=1S/C6H9F3O2/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5,10H,1-3H2 |
| InChI Key | WPMRYUXKQGRDQO-UHFFFAOYSA-N |
| MDL Number | MFCD16067895 |
| Molecular Formula | C6H9F3O2 |
| Molecular Weight | 170.1297 |
| SMILES | OC(C(F)(F)F)C1COCC1 |
| Synonyms | 2,2,2-TRIFLUORO-1-(TETRAHYDROFURAN-3-YL)ETHANOL,
1226507-56-7,
2,2,2-trifluoro-1-(oxolan-3-yl)ethan-1-ol,
SCHEMBL2420834,
WPMRYUXKQGRDQO-UHFFFAOYSA-N,
MFCD16067895,
AKOS010909946,
NE46963,
AS-41723,
Z2442044582,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.131g/mol |
| Monoisotopic Mass | 170.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number