6,8-difluoro-1H-quinolin-4-one

C9H5F2NO — CID 2736980

IUPAC6,8-difluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
InChIKeyIFNWXFDCHWBABW-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.81
Rot. Bonds

About 6,8-difluoro-1H-quinolin-4-one

6,8-difluoro-1H-quinolin-4-one (PubChem CID 2736980) has the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol. Its IUPAC name is 6,8-difluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-1H-quinolin-4-one
PubChem CID2736980
Molecular FormulaC9H5F2NO
Molecular Weight181.14 g/mol
Exact Mass181.03
IUPAC Name6,8-difluoro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
InChIKeyIFNWXFDCHWBABW-UHFFFAOYSA-N
XLogP1.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hydroxyquinoline
CID 69141
7-Chloro-4-hydroxyquinoline
CID 66593
2-Heptyl-4-hydroxyquinoline
CID 164974
2-N-Nonyl-4-Quinolone
CID 9856730
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
7-(Trifluorophenyl)quinolin-4-ol
CID 67582

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-1H-quinolin-4-one?
The IUPAC name of 6,8-difluoro-1H-quinolin-4-one (CID 2736980) is 6,8-difluoro-1H-quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-1H-quinolin-4-one?
The canonical SMILES for 6,8-difluoro-1H-quinolin-4-one is O=c1cc[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 6,8-difluoro-1H-quinolin-4-one?
The InChIKey is IFNWXFDCHWBABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13).
What are the key properties of 6,8-difluoro-1H-quinolin-4-one?
6,8-difluoro-1H-quinolin-4-one has a molecular weight of 181.14 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-1H-quinolin-4-one is sourced from PubChem (CID 2736980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).