2-Fluoro-2-methylpropyl Trifluoromethanesulfonate - CAS 145349-17-3
Catalog: |
BB063498 |
Product Name: |
2-Fluoro-2-methylpropyl Trifluoromethanesulfonate |
CAS: |
145349-17-3 |
Synonyms: |
2-fluoro-2-methylpropyl trifluoromethanesulfonate; Methanesulfonic acid, trifluoro-, 2-fluoro-2-methylpropyl ester; (2-fluoro-2-methylpropyl) trifluoromethanesulfonate; Trifluoromethanesulfonic acid 2-fluoro-2-methylpropyl ester; 2-fluoro-2-methyl-propyltriflate |
IUPAC Name: | (2-fluoro-2-methylpropyl) trifluoromethanesulfonate |
Molecular Weight: | 224.17 |
Molecular Formula: | C5H8F4O3S |
Canonical SMILES: | CC(C)(COS(=O)(=O)C(F)(F)F)F |
InChI: | InChI=1S/C5H8F4O3S/c1-4(2,6)3-12-13(10,11)5(7,8)9/h3H2,1-2H3 |
InChI Key: | OJFXAMILNHYNSV-UHFFFAOYSA-N |
References: | De Savi, C., et al. J. Med. Chem., 58, 8128 (2015). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.01302793 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.01302793 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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