5-(Trifluoromethoxy)indole - CAS 262593-63-5

Catalog:	BB019219
Product Name:	5-(Trifluoromethoxy)indole
CAS:	262593-63-5
Synonyms:	5-(trifluoromethoxy)-1H-indole; 5-(trifluoromethoxy)-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(trifluoromethoxy)-1H-indole
Description:	5-(Trifluoromethoxy)indole (CAS# 262593-63-5) is a useful research chemical.
Molecular Weight:	201.15
Molecular Formula:	C9H6F3NO
Canonical SMILES:	C1=CC2=C(C=CN2)C=C1OC(F)(F)F
InChI:	InChI=1S/C9H6F3NO/c10-9(11,12)14-7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChI Key:	XVYXWSODSCHHHB-UHFFFAOYSA-N
LogP:	3.06650

Publication Number	Title	Priority Date
AU-2019217408-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206
CN-111712491-A	Tetrahydroisoquinoline compounds, preparation method thereof, pharmaceutical composition containing compounds and application thereof	20180206
EP-3750886-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206
KR-20200118145-A	Tetrahydroisoquinoline compound, preparation method thereof, drug composition containing tetrahydroisoquinoline compound, and use thereof	20180206
US-2021040066-A1	Tetrahydroisoquinoline compound, preparation method therefor, pharmaceutical composition containing same, and use thereof	20180206

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Related Functional Groups

Indoles

[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
[116952-58-0]
2-Ethoxycarbonyl-5-methoxytryptamine
[2642-37-7]
Indoxyl sulfate potassium salt
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate

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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0401483
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.0401483
Rotatable Bond Count:	1
Topological Polar Surface Area:	25
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3