1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one

C11H9F2NO3 — CID 162400921

IUPAC1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one
SMILESCC(=O)N1c2ccccc2C(=O)C(F)(F)C1O
InChIInChI=1S/C11H9F2NO3/c1-6(15)14-8-5-3-2-4-7(8)9(16)11(12,13)10(14)17/h2-5,10,17H,1H3
InChIKeyDVCSWVOGXHMCTD-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.19
Rot. Bonds

About 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one

1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one (PubChem CID 162400921) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one.

Molecular Properties

Compound Name1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one
PubChem CID162400921
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one
SMILESCC(=O)N1c2ccccc2C(=O)C(F)(F)C1O
InChIInChI=1S/C11H9F2NO3/c1-6(15)14-8-5-3-2-4-7(8)9(16)11(12,13)10(14)17/h2-5,10,17H,1H3
InChIKeyDVCSWVOGXHMCTD-UHFFFAOYSA-N
XLogP1.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one?
The IUPAC name of 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one (CID 162400921) is 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one.
What is the SMILES notation for 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one?
The canonical SMILES for 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one is CC(=O)N1c2ccccc2C(=O)C(F)(F)C1O.
What is the InChIKey of 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one?
The InChIKey is DVCSWVOGXHMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c1-6(15)14-8-5-3-2-4-7(8)9(16)11(12,13)10(14)17/h2-5,10,17H,1H3.
What are the key properties of 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one?
1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one has a molecular weight of 241.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,3-difluoro-2-hydroxy-2H-quinolin-4-one is sourced from PubChem (CID 162400921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).