2,2,2-Trifluoro-1-(7-fluoro-3-indolyl)ethanone - CAS 858515-94-3
Catalog: |
BB037744 |
Product Name: |
2,2,2-Trifluoro-1-(7-fluoro-3-indolyl)ethanone |
CAS: |
858515-94-3 |
Synonyms: |
2,2,2-trifluoro-1-(7-fluoro-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(7-fluoro-1H-indol-3-yl)ethanone |
IUPAC Name: | 2,2,2-trifluoro-1-(7-fluoro-1H-indol-3-yl)ethanone |
Description: | 2,2,2-Trifluoro-1-(7-fluoro-3-indolyl)ethanone (CAS# 858515-94-3 ) is a useful research chemical. |
Molecular Weight: | 231.15 |
Molecular Formula: | C10H5F4NO |
Canonical SMILES: | C1=CC2=C(C(=C1)F)NC=C2C(=O)C(F)(F)F |
InChI: | InChI=1S/C10H5F4NO/c11-7-3-1-2-5-6(4-15-8(5)7)9(16)10(12,13)14/h1-4,15H |
InChI Key: | IZFCDYASNJHQAI-UHFFFAOYSA-N |
LogP: | 3.05200 |
Publication Number | Title | Priority Date |
AU-2010333779-A1 | Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors | 20091223 |
CA-2784894-A1 | Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors | 20091223 |
EP-2516419-A1 | Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors | 20091223 |
JP-2013515733-A | Indolyl-piperidinylbenzylamine as a β-tryptase inhibitor | 20091223 |
KR-20120097410-A | Indolyl-piperidinyl benzylamine as beta-tryptase inhibitor | 20091223 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.03072643 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.03072643 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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