tert-Butyl 5-(trifluoroacetyl)thiophene-2-carboxylate - CAS 1864060-79-6
Catalog: |
BB070956 |
Product Name: |
tert-Butyl 5-(trifluoroacetyl)thiophene-2-carboxylate |
CAS: |
1864060-79-6 |
Synonyms: |
tert-Butyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylate; tert-Butyl 5-(trifluoroacetyl)thiophene-2-carboxylate; tert-Butyl5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylate |
IUPAC Name: | tert-butyl 5-(2,2,2-trifluoroacetyl)thiophene-2-carboxylate |
Description: | tert-Butyl 5-(trifluoroacetyl)thiophene-2-carboxylate |
Molecular Weight: | 280.26 |
Molecular Formula: | C11H11F3O3S |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC=C(S1)C(=O)C(F)(F)F |
InChI: | InChI=1S/C11H11F3O3S/c1-10(2,3)17-9(16)7-5-4-6(18-7)8(15)11(12,13)14/h4-5H,1-3H3 |
InChI Key: | WAIFCJANMGGQNP-UHFFFAOYSA-N |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.03809987 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.03809987 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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