2-(Trifluoromethyl)quinoxaline - CAS 148853-42-3

Catalog:	BB010340
Product Name:	2-(Trifluoromethyl)quinoxaline
CAS:	148853-42-3
Synonyms:	2-(trifluoromethyl)quinoxaline

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Computed Properties

IUPAC Name:	2-(trifluoromethyl)quinoxaline
Description:	2-(Trifluoromethyl)quinoxaline (CAS# 148853-42-3) is a useful research chemical.
Molecular Weight:	198.14
Molecular Formula:	C9H5F3N2
Canonical SMILES:	C1=CC=C2C(=C1)N=CC(=N2)C(F)(F)F
InChI:	InChI=1S/C9H5F3N2/c10-9(11,12)8-5-13-6-3-1-2-4-7(6)14-8/h1-5H
InChI Key:	YIQVNKFWTSLVSA-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD06656411
LogP:	2.64860

Publication Number	Title	Priority Date
WO-2020043271-A1	Novel pyrrolidinyl amide compounds for the treatment of autoimmune disease	20180828
WO-2020025517-A1	Tlr7/8 antagonists and uses thereof	20180731
EP-3830080-A1	Tlr7/8 antagonists and uses thereof	20180731
CN-108976174-A	A kind of 3- trifluoromethyl the research of quinoxalinone derivatives preparation method	20180706
CN-111278825-A	Diazaspiro ROCK inhibitors	20171103

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Related Functional Groups

Quinoxalines

[15804-19-0]
2,3-Dihydroxyquinoxaline
[2756334-24-2]
7-Bromo-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
[2756334-26-4]
7-Bromo-8-fluoro-3-methylquinoxalin-2(1H)-one
[36856-91-4]
2-Bromoquinoxaline
[32601-86-8]
2-Chloro-3-methylquinoxaline
[1628908-19-9]
5-Bromo-7-fluoroquinoxaline

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.04048265
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.04048265
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1