4-(Trifluoromethyl)indole - CAS 128562-95-8
Catalog: |
BB006909 |
Product Name: |
4-(Trifluoromethyl)indole |
CAS: |
128562-95-8 |
Synonyms: |
4-(trifluoromethyl)-1H-indole; 4-(trifluoromethyl)-1H-indole |
IUPAC Name: | 4-(trifluoromethyl)-1H-indole |
Description: | 4-(Trifluoromethyl)indole (CAS# 128562-95-8) is a useful research chemical. |
Molecular Weight: | 185.15 |
Molecular Formula: | C9H6F3N |
Canonical SMILES: | C1=CC(=C2C=CNC2=C1)C(F)(F)F |
InChI: | InChI=1S/C9H6F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-5,13H |
InChI Key: | YTVBZSLUNRYKID-UHFFFAOYSA-N |
Boiling Point: | 256.7 °C at 760 mmHg |
Density: | 1.367 g/cm3 |
Appearance: | Liquid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.18670 |
Publication Number | Title | Priority Date |
CN-112479969-A | 1, 3-di (1H-indole) group-1-fluorine-1-propylene derivative and synthetic method thereof | 20201109 |
KR-20210093269-A | ROCK Kinase Inhibitors | 20181106 |
CN-108530335-B | Indole compound and preparation method and application thereof | 20180521 |
CN-111094249-A | P-phenylenediamine bases having cationic heterocycles and their use for the oxidation dyeing of keratin fibers | 20170929 |
EP-3596089-A1 | Antibacterial compounds | 20170316 |
PMID | Publication Date | Title | Journal |
18685200 | 20080801 | Synthesis and biological activities of 4-trifluoromethylindole-3-acetic acid: a new fluorinated indole auxin | Bioscience, biotechnology, and biochemistry |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.04523368 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.04523368 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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