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2,2,2-Trifluoro-1-(6-fluoro-3-indolyl)ethanone

2,2,2-Trifluoro-1-(6-fluoro-3-indolyl)ethanone - CAS 649550-98-1

Catalog:	BB032599
Product Name:	2,2,2-Trifluoro-1-(6-fluoro-3-indolyl)ethanone
CAS:	649550-98-1
Synonyms:	2,2,2-trifluoro-1-(6-fluoro-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(6-fluoro-1H-indol-3-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(6-fluoro-1H-indol-3-yl)ethanone
Description:	2,2,2-Trifluoro-1-(6-fluoro-3-indolyl)ethanone (CAS# 649550-98-1 ) is a useful research chemical.
Molecular Weight:	231.15
Molecular Formula:	C10H5F4NO
Canonical SMILES:	C1=CC2=C(C=C1F)NC=C2C(=O)C(F)(F)F
InChI:	InChI=1S/C10H5F4NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H
InChI Key:	DFMVRDWKCSSAGP-UHFFFAOYSA-N
LogP:	3.05200

Publication Number	Title	Priority Date
EP-3083588-A1	Aromatic heterocyclic compounds and their application in pharmaceuticals	20131220
JP-2016540786-A	Aromatic heterocyclic compounds and their application in medicine	20131220
JP-6454346-B2	Aromatic heterocyclic compounds and their application in medicine	20131220
US-2016251339-A1	Aromatic heterocyclic compounds and their application in pharmaceuticals	20131220
US-9663498-B2	Aromatic heterocyclic compounds and their application in pharmaceuticals	20131220

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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