4,5-difluoro-3-methylidenequinolin-2-one

C10H5F2NO — CID 174791263

IUPAC4,5-difluoro-3-methylidenequinolin-2-one
SMILESC=C1C(=O)N=c2cccc(F)c2=C1F
InChIInChI=1S/C10H5F2NO/c1-5-9(12)8-6(11)3-2-4-7(8)13-10(5)14/h2-4H,1H2
InChIKeyWRSFUMWHNCBSFK-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.62
Rot. Bonds

About 4,5-difluoro-3-methylidenequinolin-2-one

4,5-difluoro-3-methylidenequinolin-2-one (PubChem CID 174791263) has the molecular formula C10H5F2NO and a molecular weight of 193.15 g/mol. Its IUPAC name is 4,5-difluoro-3-methylidenequinolin-2-one.

Molecular Properties

Compound Name4,5-difluoro-3-methylidenequinolin-2-one
PubChem CID174791263
Molecular FormulaC10H5F2NO
Molecular Weight193.15 g/mol
Exact Mass193.03
IUPAC Name4,5-difluoro-3-methylidenequinolin-2-one
SMILESC=C1C(=O)N=c2cccc(F)c2=C1F
InChIInChI=1S/C10H5F2NO/c1-5-9(12)8-6(11)3-2-4-7(8)13-10(5)14/h2-4H,1H2
InChIKeyWRSFUMWHNCBSFK-UHFFFAOYSA-N
XLogP0.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-methylidenequinolin-2-one?
The IUPAC name of 4,5-difluoro-3-methylidenequinolin-2-one (CID 174791263) is 4,5-difluoro-3-methylidenequinolin-2-one.
What is the SMILES notation for 4,5-difluoro-3-methylidenequinolin-2-one?
The canonical SMILES for 4,5-difluoro-3-methylidenequinolin-2-one is C=C1C(=O)N=c2cccc(F)c2=C1F.
What is the InChIKey of 4,5-difluoro-3-methylidenequinolin-2-one?
The InChIKey is WRSFUMWHNCBSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO/c1-5-9(12)8-6(11)3-2-4-7(8)13-10(5)14/h2-4H,1H2.
What are the key properties of 4,5-difluoro-3-methylidenequinolin-2-one?
4,5-difluoro-3-methylidenequinolin-2-one has a molecular weight of 193.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-methylidenequinolin-2-one is sourced from PubChem (CID 174791263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).