7-(Trifluoromethyl)indole - CAS 172217-02-6

Catalog:	BB012803
Product Name:	7-(Trifluoromethyl)indole
CAS:	172217-02-6
Synonyms:	7-(trifluoromethyl)-1H-indole; 7-(trifluoromethyl)-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-(trifluoromethyl)-1H-indole
Description:	7-(Trifluoromethyl)indole (CAS# 172217-02-6 ) is a useful research chemical.
Molecular Weight:	185.15
Molecular Formula:	C9H6F3N
Canonical SMILES:	C1=CC2=C(C(=C1)C(F)(F)F)NC=C2
InChI:	InChI=1S/C9H6F3N/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5,13H
InChI Key:	VRAYAPZSEPNOTI-UHFFFAOYSA-N
LogP:	3.18670

Publication Number	Title	Priority Date
WO-2020131807-A1	Inhibitors of apol1 and methods of using same	20181217
US-2020377479-A1	Inhibitors of apol1 and methods of using same	20181217
TW-202039471-A	Inhibitors of apol1 and methods of using same	20181217
EP-3897833-A1	Inhibitors of apol1 and methods of using same	20181217
KR-20210116483-A	APOL1 inhibitors and methods of use thereof	20181217

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.04523368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.04523368
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1