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2,2,2-Trifluoro-1-(4-fluoro-3-indolyl)ethanone

2,2,2-Trifluoro-1-(4-fluoro-3-indolyl)ethanone - CAS 1313044-12-0

Catalog:	BB007289
Product Name:	2,2,2-Trifluoro-1-(4-fluoro-3-indolyl)ethanone
CAS:	1313044-12-0
Synonyms:	2,2,2-trifluoro-1-(4-fluoro-1H-indol-3-yl)ethanone; 2,2,2-trifluoro-1-(4-fluoro-1H-indol-3-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,2-trifluoro-1-(4-fluoro-1H-indol-3-yl)ethanone
Description:	2,2,2-Trifluoro-1-(4-fluoro-3-indolyl)ethanone (CAS# 1313044-12-0 ) is a useful research chemical.
Molecular Weight:	231.15
Molecular Formula:	C10H5F4NO
Canonical SMILES:	C1=CC2=C(C(=C1)F)C(=CN2)C(=O)C(F)(F)F
InChI:	InChI=1S/C10H5F4NO/c11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14/h1-4,15H
InChI Key:	MAKXRDHUMVJFIS-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-201934546-A	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
WO-2019154177-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
CN-111566100-A	Pyrimidine compound, preparation method and medical application thereof	20180212
US-2021101881-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
CA-2997956-A1	Fluoroindole derivatives as muscarinic m1 receptor positive allosteric modulators	20150910

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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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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