2,9-difluoro-1,10-phenanthroline

C12H6F2N2 — CID 58555940

IUPAC2,9-difluoro-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(F)nc3c2n1
InChIInChI=1S/C12H6F2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
InChIKeyJZGDJVVUIZVJRZ-UHFFFAOYSA-N
MW216.19 g/mol
LogP3.06
Rot. Bonds

About 2,9-difluoro-1,10-phenanthroline

2,9-difluoro-1,10-phenanthroline (PubChem CID 58555940) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2,9-difluoro-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-difluoro-1,10-phenanthroline
PubChem CID58555940
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name2,9-difluoro-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(F)nc3c2n1
InChIInChI=1S/C12H6F2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
InChIKeyJZGDJVVUIZVJRZ-UHFFFAOYSA-N
XLogP3.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-difluoro-1,10-phenanthroline 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 2,9-difluoro-1,10-phenanthroline?
The IUPAC name of 2,9-difluoro-1,10-phenanthroline (CID 58555940) is 2,9-difluoro-1,10-phenanthroline.
What is the SMILES notation for 2,9-difluoro-1,10-phenanthroline?
The canonical SMILES for 2,9-difluoro-1,10-phenanthroline is Fc1ccc2ccc3ccc(F)nc3c2n1.
What is the InChIKey of 2,9-difluoro-1,10-phenanthroline?
The InChIKey is JZGDJVVUIZVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H.
What are the key properties of 2,9-difluoro-1,10-phenanthroline?
2,9-difluoro-1,10-phenanthroline has a molecular weight of 216.19 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-difluoro-1,10-phenanthroline is sourced from PubChem (CID 58555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).