6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one

C11H5F6NO2 — CID 2775106

IUPAC6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19)
InChIKeyFOSLEIYRFCRULX-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.45
Rot. Bonds1

About 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one

6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2775106) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2775106
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19)
InChIKeyFOSLEIYRFCRULX-UHFFFAOYSA-N
XLogP3.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2775106) is 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is FOSLEIYRFCRULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19).
What are the key properties of 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 297.15 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2775106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).