97Q

2,8-bis(trifluoromethyl)quinolin-4-ol

Created:	2017-04-27
Last modified:	2021-06-30

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1 entries where 97Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of 97Q

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Chemical Component Summary
Name	2,8-bis(trifluoromethyl)quinolin-4-ol
Systematic Name (OpenEye OEToolkits)	2,8-bis(trifluoromethyl)quinolin-4-ol
Formula	C₁₁ H₅ F₆ N O
Molecular Weight	281.154
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O
Canonical SMILES	CACTVS	3.385	Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)O
InChI	InChI	1.03	InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
InChIKey	InChI	1.03	JIWHKBAFGFPZKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	736140
ChEMBL	CHEMBL1312885

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.