1,10-difluoro-1,10-phenanthroline

C12H8F2N2 — CID 175933835

IUPAC1,10-difluoro-1,10-phenanthroline
SMILESFN1C=CC=c2ccc3c(c21)N(F)C=CC=3
InChIInChI=1S/C12H8F2N2/c13-15-7-1-3-9-5-6-10-4-2-8-16(14)12(10)11(9)15/h1-8H
InChIKeyOXWXXZSOWGXNET-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.68
Rot. Bonds

About 1,10-difluoro-1,10-phenanthroline

1,10-difluoro-1,10-phenanthroline (PubChem CID 175933835) has the molecular formula C12H8F2N2 and a molecular weight of 218.21 g/mol. Its IUPAC name is 1,10-difluoro-1,10-phenanthroline.

Molecular Properties

Compound Name1,10-difluoro-1,10-phenanthroline
PubChem CID175933835
Molecular FormulaC12H8F2N2
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name1,10-difluoro-1,10-phenanthroline
SMILESFN1C=CC=c2ccc3c(c21)N(F)C=CC=3
InChIInChI=1S/C12H8F2N2/c13-15-7-1-3-9-5-6-10-4-2-8-16(14)12(10)11(9)15/h1-8H
InChIKeyOXWXXZSOWGXNET-UHFFFAOYSA-N
XLogP1.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-difluoro-1,10-phenanthroline?
The IUPAC name of 1,10-difluoro-1,10-phenanthroline (CID 175933835) is 1,10-difluoro-1,10-phenanthroline.
What is the SMILES notation for 1,10-difluoro-1,10-phenanthroline?
The canonical SMILES for 1,10-difluoro-1,10-phenanthroline is FN1C=CC=c2ccc3c(c21)N(F)C=CC=3.
What is the InChIKey of 1,10-difluoro-1,10-phenanthroline?
The InChIKey is OXWXXZSOWGXNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2/c13-15-7-1-3-9-5-6-10-4-2-8-16(14)12(10)11(9)15/h1-8H.
What are the key properties of 1,10-difluoro-1,10-phenanthroline?
1,10-difluoro-1,10-phenanthroline has a molecular weight of 218.21 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-difluoro-1,10-phenanthroline is sourced from PubChem (CID 175933835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).