6-fluoroquinoxaline-2,3-diimine

C8H5FN4 — CID 129119739

IUPAC6-fluoroquinoxaline-2,3-diimine
SMILES[H]/N=C1\N=c2ccc(F)cc2=N\C1=N/[H]
InChIInChI=1S/C8H5FN4/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3,10-11H/b10-7-,11-8-
InChIKeyMMMROTPTZCTRPU-DEFDFUCDSA-N
MW176.15 g/mol
LogP0.03
Rot. Bonds

About 6-fluoroquinoxaline-2,3-diimine

6-fluoroquinoxaline-2,3-diimine (PubChem CID 129119739) has the molecular formula C8H5FN4 and a molecular weight of 176.15 g/mol. Its IUPAC name is 6-fluoroquinoxaline-2,3-diimine.

Molecular Properties

Compound Name6-fluoroquinoxaline-2,3-diimine
PubChem CID129119739
Molecular FormulaC8H5FN4
Molecular Weight176.15 g/mol
Exact Mass176.05
IUPAC Name6-fluoroquinoxaline-2,3-diimine
SMILES[H]/N=C1\N=c2ccc(F)cc2=N\C1=N/[H]
InChIInChI=1S/C8H5FN4/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3,10-11H/b10-7-,11-8-
InChIKeyMMMROTPTZCTRPU-DEFDFUCDSA-N
XLogP0.03
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoroquinoxaline-2,3-diimine?
The IUPAC name of 6-fluoroquinoxaline-2,3-diimine (CID 129119739) is 6-fluoroquinoxaline-2,3-diimine.
What is the SMILES notation for 6-fluoroquinoxaline-2,3-diimine?
The canonical SMILES for 6-fluoroquinoxaline-2,3-diimine is [H]/N=C1\N=c2ccc(F)cc2=N\C1=N/[H].
What is the InChIKey of 6-fluoroquinoxaline-2,3-diimine?
The InChIKey is MMMROTPTZCTRPU-DEFDFUCDSA-N. The full InChI is InChI=1S/C8H5FN4/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3,10-11H/b10-7-,11-8-.
What are the key properties of 6-fluoroquinoxaline-2,3-diimine?
6-fluoroquinoxaline-2,3-diimine has a molecular weight of 176.15 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoroquinoxaline-2,3-diimine is sourced from PubChem (CID 129119739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).