6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

C9H9FN2O2 — CID 130943924

IUPAC6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(F)cc2NC1CO
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-6-7(3-5)11-8(4-13)9(14)12-6/h1-3,8,11,13H,4H2,(H,12,14)
InChIKeyRZKQTYSQJNJUMO-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.55
Rot. Bonds1

About 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one

6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 130943924) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID130943924
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(F)cc2NC1CO
InChIInChI=1S/C9H9FN2O2/c10-5-1-2-6-7(3-5)11-8(4-13)9(14)12-6/h1-3,8,11,13H,4H2,(H,12,14)
InChIKeyRZKQTYSQJNJUMO-UHFFFAOYSA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 130943924) is 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2ccc(F)cc2NC1CO.
What is the InChIKey of 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is RZKQTYSQJNJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c10-5-1-2-6-7(3-5)11-8(4-13)9(14)12-6/h1-3,8,11,13H,4H2,(H,12,14).
What are the key properties of 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one?
6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 196.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(hydroxymethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 130943924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).