3,8-difluoro-5-methyl-1,10-phenanthroline

C13H8F2N2 — CID 59318960

IUPAC3,8-difluoro-5-methyl-1,10-phenanthroline
SMILESCc1cc2cc(F)cnc2c2ncc(F)cc12
InChIInChI=1S/C13H8F2N2/c1-7-2-8-3-9(14)5-16-12(8)13-11(7)4-10(15)6-17-13/h2-6H,1H3
InChIKeyJBUZPYPMHOQVSL-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.37
Rot. Bonds

About 3,8-difluoro-5-methyl-1,10-phenanthroline

3,8-difluoro-5-methyl-1,10-phenanthroline (PubChem CID 59318960) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3,8-difluoro-5-methyl-1,10-phenanthroline.

Molecular Properties

Compound Name3,8-difluoro-5-methyl-1,10-phenanthroline
PubChem CID59318960
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3,8-difluoro-5-methyl-1,10-phenanthroline
SMILESCc1cc2cc(F)cnc2c2ncc(F)cc12
InChIInChI=1S/C13H8F2N2/c1-7-2-8-3-9(14)5-16-12(8)13-11(7)4-10(15)6-17-13/h2-6H,1H3
InChIKeyJBUZPYPMHOQVSL-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-difluoro-5-methyl-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 3,8-difluoro-5-methyl-1,10-phenanthroline?
The IUPAC name of 3,8-difluoro-5-methyl-1,10-phenanthroline (CID 59318960) is 3,8-difluoro-5-methyl-1,10-phenanthroline.
What is the SMILES notation for 3,8-difluoro-5-methyl-1,10-phenanthroline?
The canonical SMILES for 3,8-difluoro-5-methyl-1,10-phenanthroline is Cc1cc2cc(F)cnc2c2ncc(F)cc12.
What is the InChIKey of 3,8-difluoro-5-methyl-1,10-phenanthroline?
The InChIKey is JBUZPYPMHOQVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c1-7-2-8-3-9(14)5-16-12(8)13-11(7)4-10(15)6-17-13/h2-6H,1H3.
What are the key properties of 3,8-difluoro-5-methyl-1,10-phenanthroline?
3,8-difluoro-5-methyl-1,10-phenanthroline has a molecular weight of 230.22 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-difluoro-5-methyl-1,10-phenanthroline is sourced from PubChem (CID 59318960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).