7-fluoro-8-methylidenequinoxalin-2-one

C9H5FN2O — CID 76851609

IUPAC7-fluoro-8-methylidenequinoxalin-2-one
SMILESC=c1c(F)ccc2c1=NC(=O)C=N2
InChIInChI=1S/C9H5FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4H,1H2
InChIKeyIBSIPFOJVAJZRZ-UHFFFAOYSA-N
MW176.15 g/mol
LogP0.10
Rot. Bonds

About 7-fluoro-8-methylidenequinoxalin-2-one

7-fluoro-8-methylidenequinoxalin-2-one (PubChem CID 76851609) has the molecular formula C9H5FN2O and a molecular weight of 176.15 g/mol. Its IUPAC name is 7-fluoro-8-methylidenequinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-8-methylidenequinoxalin-2-one
PubChem CID76851609
Molecular FormulaC9H5FN2O
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name7-fluoro-8-methylidenequinoxalin-2-one
SMILESC=c1c(F)ccc2c1=NC(=O)C=N2
InChIInChI=1S/C9H5FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4H,1H2
InChIKeyIBSIPFOJVAJZRZ-UHFFFAOYSA-N
XLogP0.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methylidenequinoxalin-2-one?
The IUPAC name of 7-fluoro-8-methylidenequinoxalin-2-one (CID 76851609) is 7-fluoro-8-methylidenequinoxalin-2-one.
What is the SMILES notation for 7-fluoro-8-methylidenequinoxalin-2-one?
The canonical SMILES for 7-fluoro-8-methylidenequinoxalin-2-one is C=c1c(F)ccc2c1=NC(=O)C=N2.
What is the InChIKey of 7-fluoro-8-methylidenequinoxalin-2-one?
The InChIKey is IBSIPFOJVAJZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O/c1-5-6(10)2-3-7-9(5)12-8(13)4-11-7/h2-4H,1H2.
What are the key properties of 7-fluoro-8-methylidenequinoxalin-2-one?
7-fluoro-8-methylidenequinoxalin-2-one has a molecular weight of 176.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methylidenequinoxalin-2-one is sourced from PubChem (CID 76851609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).