2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

C10H4F4N2O4 — CID 21189989

IUPAC2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C10H4F4N2O4/c11-3-4(12)6(14)8-7(5(3)13)15-9(19)10(20)16(8)1-2(17)18/h1H2,(H,15,19)(H,17,18)
InChIKeyYWLCYFKGRKJVHM-UHFFFAOYSA-N
MW292.14 g/mol
LogP0.33
Rot. Bonds2

About 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid

2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (PubChem CID 21189989) has the molecular formula C10H4F4N2O4 and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
PubChem CID21189989
Molecular FormulaC10H4F4N2O4
Molecular Weight292.14 g/mol
Exact Mass292.01
IUPAC Name2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid
SMILESO=C(O)Cn1c(=O)c(=O)[nH]c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C10H4F4N2O4/c11-3-4(12)6(14)8-7(5(3)13)15-9(19)10(20)16(8)1-2(17)18/h1H2,(H,15,19)(H,17,18)
InChIKeyYWLCYFKGRKJVHM-UHFFFAOYSA-N
XLogP0.33
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid (CID 21189989) is 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is O=C(O)Cn1c(=O)c(=O)[nH]c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
The InChIKey is YWLCYFKGRKJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O4/c11-3-4(12)6(14)8-7(5(3)13)15-9(19)10(20)16(8)1-2(17)18/h1H2,(H,15,19)(H,17,18).
What are the key properties of 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid?
2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid has a molecular weight of 292.14 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrafluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid is sourced from PubChem (CID 21189989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).