8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate

C11H4F6NO2- — CID 26865230

IUPAC8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate
SMILES[O-]c1cc(C(F)(F)F)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)8-4-6(19)5-2-1-3-7(9(5)18-8)20-11(15,16)17/h1-4H,(H,18,19)/p-1
InChIKeyNPILHDIBEBFVPW-UHFFFAOYSA-M
MW296.15 g/mol
LogP3.23
Rot. Bonds1

About 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate

8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate (PubChem CID 26865230) has the molecular formula C11H4F6NO2- and a molecular weight of 296.15 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate.

Molecular Properties

Compound Name8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate
PubChem CID26865230
Molecular FormulaC11H4F6NO2-
Molecular Weight296.15 g/mol
Exact Mass296.02
IUPAC Name8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate
SMILES[O-]c1cc(C(F)(F)F)nc2c(OC(F)(F)F)cccc12
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)8-4-6(19)5-2-1-3-7(9(5)18-8)20-11(15,16)17/h1-4H,(H,18,19)/p-1
InChIKeyNPILHDIBEBFVPW-UHFFFAOYSA-M
XLogP3.23
TPSA45.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate?
The IUPAC name of 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate (CID 26865230) is 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate.
What is the SMILES notation for 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate?
The canonical SMILES for 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate is [O-]c1cc(C(F)(F)F)nc2c(OC(F)(F)F)cccc12.
What is the InChIKey of 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate?
The InChIKey is NPILHDIBEBFVPW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)8-4-6(19)5-2-1-3-7(9(5)18-8)20-11(15,16)17/h1-4H,(H,18,19)/p-1.
What are the key properties of 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate?
8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate has a molecular weight of 296.15 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethoxy)-2-(trifluoromethyl)quinolin-4-olate is sourced from PubChem (CID 26865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).