8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide

C12H11FN2O2 — CID 3238284

IUPAC8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide
SMILESO=[n+]1c2c(n([O-])c3cc(F)ccc31)CCCC2
InChIInChI=1S/C12H11FN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h5-7H,1-4H2
InChIKeyFQHHAAKSWFXMMM-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.92
Rot. Bonds

About 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide

8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide (PubChem CID 3238284) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide.

Molecular Properties

Compound Name8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide
PubChem CID3238284
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide
SMILESO=[n+]1c2c(n([O-])c3cc(F)ccc31)CCCC2
InChIInChI=1S/C12H11FN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h5-7H,1-4H2
InChIKeyFQHHAAKSWFXMMM-UHFFFAOYSA-N
XLogP1.92
TPSA50.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide?
The IUPAC name of 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide (CID 3238284) is 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide.
What is the SMILES notation for 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide?
The canonical SMILES for 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide is O=[n+]1c2c(n([O-])c3cc(F)ccc31)CCCC2.
What is the InChIKey of 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide?
The InChIKey is FQHHAAKSWFXMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-8-5-6-11-12(7-8)15(17)10-4-2-1-3-9(10)14(11)16/h5-7H,1-4H2.
What are the key properties of 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide?
8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide has a molecular weight of 234.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide is sourced from PubChem (CID 3238284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).