6,8-difluoro-3H-quinolin-4-one

C9H5F2NO — CID 130156910

IUPAC6,8-difluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(F)cc(F)cc21
InChIInChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h2-4H,1H2
InChIKeyMCDGNQSSJRBHLG-UHFFFAOYSA-N
MW181.14 g/mol
LogP2.25
Rot. Bonds

About 6,8-difluoro-3H-quinolin-4-one

6,8-difluoro-3H-quinolin-4-one (PubChem CID 130156910) has the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol. Its IUPAC name is 6,8-difluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name6,8-difluoro-3H-quinolin-4-one
PubChem CID130156910
Molecular FormulaC9H5F2NO
Molecular Weight181.14 g/mol
Exact Mass181.03
IUPAC Name6,8-difluoro-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(F)cc(F)cc21
InChIInChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h2-4H,1H2
InChIKeyMCDGNQSSJRBHLG-UHFFFAOYSA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3H-quinolin-4-one?
The IUPAC name of 6,8-difluoro-3H-quinolin-4-one (CID 130156910) is 6,8-difluoro-3H-quinolin-4-one.
What is the SMILES notation for 6,8-difluoro-3H-quinolin-4-one?
The canonical SMILES for 6,8-difluoro-3H-quinolin-4-one is O=C1CC=Nc2c(F)cc(F)cc21.
What is the InChIKey of 6,8-difluoro-3H-quinolin-4-one?
The InChIKey is MCDGNQSSJRBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h2-4H,1H2.
What are the key properties of 6,8-difluoro-3H-quinolin-4-one?
6,8-difluoro-3H-quinolin-4-one has a molecular weight of 181.14 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3H-quinolin-4-one is sourced from PubChem (CID 130156910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).