1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine

C13H9ClFN — CID 967940

IUPAC1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyOPIWCWJBWSGFJD-CXUHLZMHSA-N
MW233.67 g/mol
LogP4.23
Rot. Bonds2

About 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine

1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine (PubChem CID 967940) has the molecular formula C13H9ClFN and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine
PubChem CID967940
Molecular FormulaC13H9ClFN
Molecular Weight233.67 g/mol
Exact Mass233.04
IUPAC Name1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H9ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyOPIWCWJBWSGFJD-CXUHLZMHSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine (CID 967940) is 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine?
The InChIKey is OPIWCWJBWSGFJD-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9ClFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+.
What are the key properties of 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine?
1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine has a molecular weight of 233.67 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 967940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).