2,6-bis(trifluoromethyl)-1H-quinolin-4-one

C11H5F6NO — CID 2736155

IUPAC2,6-bis(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)
InChIKeyAOGNHURBEDTPIZ-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.57
Rot. Bonds

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

2,6-bis(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2736155) has the molecular formula C11H5F6NO and a molecular weight of 281.16 g/mol. Its IUPAC name is 2,6-bis(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6-bis(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2736155
Molecular FormulaC11H5F6NO
Molecular Weight281.16 g/mol
Exact Mass281.03
IUPAC Name2,6-bis(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)
InChIKeyAOGNHURBEDTPIZ-UHFFFAOYSA-N
XLogP3.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2,6-bis(trifluoromethyl)-1H-quinolin-4-one (CID 2736155) is 2,6-bis(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2,6-bis(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2,6-bis(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2,6-bis(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is AOGNHURBEDTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19).
What are the key properties of 2,6-bis(trifluoromethyl)-1H-quinolin-4-one?
2,6-bis(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 281.16 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2736155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).