| CAS Number | 149902-13-6 |
| Catalog Number | AG01A26D(AGN-PC-03VXDX) |
| Chemical Name | 1,1,1-Trifluoro-3-methoxypropan-2-ol |
| IUPAC Name | 1,1,1-trifluoro-3-methoxypropan-2-ol |
| InChI | InChI=1S/C4H7F3O2/c1-9-2-3(8)4(5,6)7/h3,8H,2H2,1H3 |
| InChI Key | SLSXKESHZUSAHH-UHFFFAOYSA-N |
| MDL Number | MFCD16615901 |
| Molecular Formula | C4H7F3O2 |
| Molecular Weight | 144.0924 |
| SMILES | COCC(C(F)(F)F)O |
| Synonyms | 1,1,1-trifluoro-3-methoxypropan-2-ol,
149902-13-6,
2-Propanol,1,1,1-trifluoro-3-methoxy-,
SCHEMBL310532,
SLSXKESHZUSAHH-UHFFFAOYSA-N,
AKOS014316102,
NE62686,
(rac)-1,1,1-trifluoro-3-methoxy-propan-2-ol,
F8881-0944,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.093g/mol |
| Monoisotopic Mass | 144.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number