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1-(7-Chloro-3-indolyl)-2,2,2-trifluoroethanone

1-(7-Chloro-3-indolyl)-2,2,2-trifluoroethanone - CAS 934185-80-5

Catalog:	BB040914
Product Name:	1-(7-Chloro-3-indolyl)-2,2,2-trifluoroethanone
CAS:	934185-80-5
Synonyms:	1-(7-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone; 1-(7-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(7-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone
Description:	1-(7-Chloro-3-indolyl)-2,2,2-trifluoroethanone (CAS# 934185-80-5 ) is a useful research chemical.
Molecular Weight:	247.60
Molecular Formula:	C10H5ClF3NO
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC=C2C(=O)C(F)(F)F
InChI:	InChI=1S/C10H5ClF3NO/c11-7-3-1-2-5-6(4-15-8(5)7)9(16)10(12,13)14/h1-4,15H
InChI Key:	RTLPXULQNIAHSM-UHFFFAOYSA-N
LogP:	3.56630

Publication Number	Title	Priority Date
AU-2010333779-A1	Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors	20091223
CA-2784894-A1	Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors	20091223
EP-2516419-A1	Indolyl-piperidinyl benzylamines as beta-tryptase inhibitors	20091223
JP-2013515733-A	Indolyl-piperidinylbenzylamine as a Î²-tryptase inhibitor	20091223
KR-20120097410-A	Indolyl-piperidinyl benzylamine as beta-tryptase inhibitor	20091223

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.001176
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.001176
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1