5,7-difluoro-4aH-quinolin-4-one

C9H5F2NO — CID 74878717

IUPAC5,7-difluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C=C(F)C12
InChIInChI=1S/C9H5F2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4,9H
InChIKeyNPGANCNGQPUPHI-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.86
Rot. Bonds

About 5,7-difluoro-4aH-quinolin-4-one

5,7-difluoro-4aH-quinolin-4-one (PubChem CID 74878717) has the molecular formula C9H5F2NO and a molecular weight of 181.14 g/mol. Its IUPAC name is 5,7-difluoro-4aH-quinolin-4-one.

Molecular Properties

Compound Name5,7-difluoro-4aH-quinolin-4-one
PubChem CID74878717
Molecular FormulaC9H5F2NO
Molecular Weight181.14 g/mol
Exact Mass181.03
IUPAC Name5,7-difluoro-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C=C(F)C=C(F)C12
InChIInChI=1S/C9H5F2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4,9H
InChIKeyNPGANCNGQPUPHI-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4aH-quinolin-4-one?
The IUPAC name of 5,7-difluoro-4aH-quinolin-4-one (CID 74878717) is 5,7-difluoro-4aH-quinolin-4-one.
What is the SMILES notation for 5,7-difluoro-4aH-quinolin-4-one?
The canonical SMILES for 5,7-difluoro-4aH-quinolin-4-one is O=C1C=CN=C2C=C(F)C=C(F)C12.
What is the InChIKey of 5,7-difluoro-4aH-quinolin-4-one?
The InChIKey is NPGANCNGQPUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4,9H.
What are the key properties of 5,7-difluoro-4aH-quinolin-4-one?
5,7-difluoro-4aH-quinolin-4-one has a molecular weight of 181.14 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4aH-quinolin-4-one is sourced from PubChem (CID 74878717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).