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

C13H9BrFN — CID 904271

IUPAC1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyGRJJOTKXGXRNQS-CXUHLZMHSA-N
MW278.12 g/mol
LogP4.34
Rot. Bonds2

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

1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine (PubChem CID 904271) has the molecular formula C13H9BrFN and a molecular weight of 278.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine
PubChem CID904271
Molecular FormulaC13H9BrFN
Molecular Weight278.12 g/mol
Exact Mass276.99
IUPAC Name1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H9BrFN/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-9H/b16-9+
InChIKeyGRJJOTKXGXRNQS-CXUHLZMHSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 54.34
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-bromophenyl)-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine (CID 904271) is 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine?
The InChIKey is GRJJOTKXGXRNQS-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9BrFN/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-bromophenyl)-N-(4-fluorophenyl)methanimine?
1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine has a molecular weight of 278.12 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 904271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).