| CAS Number | 212556-43-9 |
| Catalog Number | AG019ZH9 |
| Chemical Name | 1,1,1-TRIFLUOROPROPAN-2-YL TRIFLUOROMETHANESULFONATE |
| IUPAC Name | 1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate |
| InChI | InChI=1S/C4H4F6O3S/c1-2(3(5,6)7)13-14(11,12)4(8,9)10/h2H,1H3 |
| InChI Key | CCCKOEYCRHBDDH-UHFFFAOYSA-N |
| MDL Number | MFCD20483602 |
| Molecular Formula | C4H4F6O3S |
| Molecular Weight | 246.1282 |
| SMILES | FC(S(=O)(=O)OC(C(F)(F)F)C)(F)F |
| Synonyms | 1,1,1-trifluoropropan-2-yl trifluoromethanesulfonate,
212556-43-9,
SCHEMBL2832124,
CCCKOEYCRHBDDH-UHFFFAOYSA-N,
NE25786,
2,2,2-Trifluoro-1-methylethyl trifluoromethanesulfonate,
trifluoro-methanesulfonic acid 2,2,2-trifluoro-1-methyl-ethyl ester,
Trifluoromethanesulfonic acid 1-methyl-2,2,2-trifluoroethyl ester,
rac-trifluoro-methanesulfonic acid 2,2,2-trifluoro-1-methyl-ethyl ester,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.123g/mol |
| Monoisotopic Mass | 245.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number