5-Trifluoromethoxyindan-1-one - CAS 173252-76-1
Catalog: |
BB057233 |
Product Name: |
5-Trifluoromethoxyindan-1-one |
CAS: |
173252-76-1 |
Synonyms: |
2,3-Dihydro-5-(trifluoromethoxy)-1H-inden-1-one; 5-(Trifluoromethoxy)-2,3-dihydro-1H-inden-1-one |
IUPAC Name: | 5-(trifluoromethoxy)-2,3-dihydroinden-1-one |
Description: | 5-Trifluoromethoxyindan-1-one is used in the preparation of imidazoindenopyrazinones as AMPA and NMDA receptor antagonists. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1CC(=O)C2=C1C=C(C=C2)OC(F)(F)F |
InChI: | InChI=1S/C10H7F3O2/c11-10(12,13)15-7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2 |
InChI Key: | DJGOAKVCWWDUHQ-UHFFFAOYSA-N |
References: | Aloup, J.C., et. al. PCT Int. Appl., WO 9526349 A1 19951005 (1995). |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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