4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide

C13H10F2N2 — CID 11075269

IUPAC4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,(H2,16,17)
InChIKeyXUZMQKOWMUWBAW-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.00
Rot. Bonds2

About 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide

4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide (PubChem CID 11075269) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
PubChem CID11075269
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,(H2,16,17)
InChIKeyXUZMQKOWMUWBAW-UHFFFAOYSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide (CID 11075269) is 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide is N/C(=N\c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The InChIKey is XUZMQKOWMUWBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,(H2,16,17).
What are the key properties of 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide has a molecular weight of 232.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 11075269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).