7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one

C11H9FN2O2 — CID 130303520

IUPAC7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one
SMILESO=c1cnc2ccc(F)cc2n1CC1CO1
InChIInChI=1S/C11H9FN2O2/c12-7-1-2-9-10(3-7)14(5-8-6-16-8)11(15)4-13-9/h1-4,8H,5-6H2
InChIKeyLWZSCQHKSONXOF-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.93
Rot. Bonds2

About 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one

7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one (PubChem CID 130303520) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one
PubChem CID130303520
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one
SMILESO=c1cnc2ccc(F)cc2n1CC1CO1
InChIInChI=1S/C11H9FN2O2/c12-7-1-2-9-10(3-7)14(5-8-6-16-8)11(15)4-13-9/h1-4,8H,5-6H2
InChIKeyLWZSCQHKSONXOF-UHFFFAOYSA-N
XLogP0.93
TPSA47.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one?
The IUPAC name of 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one (CID 130303520) is 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one?
The canonical SMILES for 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one is O=c1cnc2ccc(F)cc2n1CC1CO1.
What is the InChIKey of 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one?
The InChIKey is LWZSCQHKSONXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-7-1-2-9-10(3-7)14(5-8-6-16-8)11(15)4-13-9/h1-4,8H,5-6H2.
What are the key properties of 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one?
7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one has a molecular weight of 220.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(oxiran-2-ylmethyl)quinoxalin-2-one is sourced from PubChem (CID 130303520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).