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

C11H5F6NO2 — CID 2775107

IUPAC8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(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)
InChIKeyNPILHDIBEBFVPW-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.45
Rot. Bonds1

About 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one

8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2775107) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2775107
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(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)
InChIKeyNPILHDIBEBFVPW-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 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2775107) is 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c(OC(F)(F)F)cccc12.
What is the InChIKey of 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is NPILHDIBEBFVPW-UHFFFAOYSA-N. 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).
What are the key properties of 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one?
8-(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 8-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2775107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).