5-(Trifluoromethoxy)indole - CAS 262593-63-5
Catalog: |
BB019219 |
Product Name: |
5-(Trifluoromethoxy)indole |
CAS: |
262593-63-5 |
Synonyms: |
5-(trifluoromethoxy)-1H-indole; 5-(trifluoromethoxy)-1H-indole |
IUPAC Name: | 5-(trifluoromethoxy)-1H-indole |
Description: | 5-(Trifluoromethoxy)indole (CAS# 262593-63-5) is a useful research chemical. |
Molecular Weight: | 201.15 |
Molecular Formula: | C9H6F3NO |
Canonical SMILES: | C1=CC2=C(C=CN2)C=C1OC(F)(F)F |
InChI: | InChI=1S/C9H6F3NO/c10-9(11,12)14-7-1-2-8-6(5-7)3-4-13-8/h1-5,13H |
InChI Key: | XVYXWSODSCHHHB-UHFFFAOYSA-N |
LogP: | 3.06650 |
Publication Number | Title | Priority Date |
AU-2019217408-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
CN-111712491-A | Tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application thereof | 20180206 |
EP-3750886-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
KR-20200118145-A | Tetrahydroisoquinoline compound, preparation method thereof, drug composition containing tetrahydroisoquinoline compound, and use thereof | 20180206 |
US-2021040066-A1 | Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20180206 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0401483 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0401483 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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