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2,2,2-Trifluoro-1-(5-methyl-3-indolyl)ethanone

2,2,2-Trifluoro-1-(5-methyl-3-indolyl)ethanone - CAS 858515-93-2

Catalog:	BB037743
Product Name:	2,2,2-Trifluoro-1-(5-methyl-3-indolyl)ethanone
CAS:	858515-93-2
Synonyms:	2,2,2-trifluoro-1-(5-methyl-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(5-methyl-1H-indol-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(5-methyl-1H-indol-3-yl)ethanone
Description:	2,2,2-Trifluoro-1-(5-methyl-3-indolyl)ethanone (CAS# 858515-93-2) is a useful research chemical.
Molecular Weight:	227.18
Molecular Formula:	C11H8F3NO
Canonical SMILES:	CC1=CC2=C(C=C1)NC=C2C(=O)C(F)(F)F
InChI:	InChI=1S/C11H8F3NO/c1-6-2-3-9-7(4-6)8(5-15-9)10(16)11(12,13)14/h2-5,15H,1H3
InChI Key:	VCRHDWXXEWKQOI-UHFFFAOYSA-N
LogP:	3.22130

Publication Number	Title	Priority Date
US-9593096-B2	Î±7 nicotinic acetylcholine receptor modulators and uses thereof-III	20130424
EP-2108649-A1	Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists	20080410
EP-2108649-B1	Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists	20080410
KR-101062376-B1	Novel indole carboxylic acid bispyridyl carboxamide derivatives, preparation method thereof and composition containing the same as an active ingredient	20080410
KR-20090107808-A	Novel indole carboxylic acid bispyridyl carboxamide derivatives, preparation method thereof and composition containing the same as an active ingredient	20080410

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Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.05579836
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.05579836
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8