2,8-bis(trifluoromethyl)-1H-quinolin-4-one

C11H5F6NO — CID 736140

IUPAC2,8-bis(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=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)
InChIKeyJIWHKBAFGFPZKM-UHFFFAOYSA-N
MW281.16 g/mol
LogP3.57
Rot. Bonds

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

2,8-bis(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 736140) has the molecular formula C11H5F6NO and a molecular weight of 281.16 g/mol. Its IUPAC name is 2,8-bis(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2,8-bis(trifluoromethyl)-1H-quinolin-4-one
PubChem CID736140
Molecular FormulaC11H5F6NO
Molecular Weight281.16 g/mol
Exact Mass281.03
IUPAC Name2,8-bis(trifluoromethyl)-1H-quinolin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc12
InChIInChI=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)
InChIKeyJIWHKBAFGFPZKM-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 2,8-bis(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 2,8-bis(trifluoromethyl)-1H-quinolin-4-one (CID 736140) is 2,8-bis(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2,8-bis(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 2,8-bis(trifluoromethyl)-1H-quinolin-4-one is O=c1cc(C(F)(F)F)[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2,8-bis(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is JIWHKBAFGFPZKM-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 2,8-bis(trifluoromethyl)-1H-quinolin-4-one?
2,8-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 2,8-bis(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 736140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).