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

2,2,2-Trifluoro-1-(5-methoxy-3-indolyl)ethanone - CAS 1051967-68-0

Catalog:	BB001574
Product Name:	2,2,2-Trifluoro-1-(5-methoxy-3-indolyl)ethanone
CAS:	1051967-68-0
Synonyms:	2,2,2-trifluoro-1-(5-methoxy-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(5-methoxy-1H-indol-3-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(5-methoxy-1H-indol-3-yl)ethanone
Description:	2,2,2-Trifluoro-1-(5-methoxy-3-indolyl)ethanone (CAS# 1051967-68-0 ) is a useful research chemical.
Molecular Weight:	243.18
Molecular Formula:	C11H8F3NO2
Canonical SMILES:	COC1=CC2=C(C=C1)NC=C2C(=O)C(F)(F)F
InChI:	InChI=1S/C11H8F3NO2/c1-17-6-2-3-9-7(4-6)8(5-15-9)10(16)11(12,13)14/h2-5,15H,1H3
InChI Key:	NATVVLXPSYDGES-UHFFFAOYSA-N
LogP:	2.92150

Publication Number	Title	Priority Date
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
US-2009258876-A1	Novel indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient	20080410

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.05071298
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.05071298
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4