1,2,4,6,7,9-hexafluorophenazine

C12H2F6N2 — CID 23235431

IUPAC1,2,4,6,7,9-hexafluorophenazine
SMILESFc1cc(F)c2nc3c(F)c(F)cc(F)c3nc2c1F
InChIInChI=1S/C12H2F6N2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H
InChIKeyFKBGKROMVCBGKU-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.62
Rot. Bonds

About 1,2,4,6,7,9-hexafluorophenazine

1,2,4,6,7,9-hexafluorophenazine (PubChem CID 23235431) has the molecular formula C12H2F6N2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1,2,4,6,7,9-hexafluorophenazine.

Molecular Properties

Compound Name1,2,4,6,7,9-hexafluorophenazine
PubChem CID23235431
Molecular FormulaC12H2F6N2
Molecular Weight288.15 g/mol
Exact Mass288.01
IUPAC Name1,2,4,6,7,9-hexafluorophenazine
SMILESFc1cc(F)c2nc3c(F)c(F)cc(F)c3nc2c1F
InChIInChI=1S/C12H2F6N2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H
InChIKeyFKBGKROMVCBGKU-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,2,4,6,7,9-hexafluorophenazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,7,9-hexafluorophenazine?
The IUPAC name of 1,2,4,6,7,9-hexafluorophenazine (CID 23235431) is 1,2,4,6,7,9-hexafluorophenazine.
What is the SMILES notation for 1,2,4,6,7,9-hexafluorophenazine?
The canonical SMILES for 1,2,4,6,7,9-hexafluorophenazine is Fc1cc(F)c2nc3c(F)c(F)cc(F)c3nc2c1F.
What is the InChIKey of 1,2,4,6,7,9-hexafluorophenazine?
The InChIKey is FKBGKROMVCBGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F6N2/c13-3-1-5(15)9-11(7(3)17)20-10-6(16)2-4(14)8(18)12(10)19-9/h1-2H.
What are the key properties of 1,2,4,6,7,9-hexafluorophenazine?
1,2,4,6,7,9-hexafluorophenazine has a molecular weight of 288.15 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,7,9-hexafluorophenazine is sourced from PubChem (CID 23235431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).