N-(4-bromo-3-chloro-5-fluorophenyl)methanimine

C7H4BrClFN — CID 130179393

IUPACN-(4-bromo-3-chloro-5-fluorophenyl)methanimine
SMILESC=Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClFN/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H2
InChIKeyAKDBDXUOUPAUEI-UHFFFAOYSA-N
MW236.47 g/mol
LogP3.57
Rot. Bonds1

About N-(4-bromo-3-chloro-5-fluorophenyl)methanimine

N-(4-bromo-3-chloro-5-fluorophenyl)methanimine (PubChem CID 130179393) has the molecular formula C7H4BrClFN and a molecular weight of 236.47 g/mol. Its IUPAC name is N-(4-bromo-3-chloro-5-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-chloro-5-fluorophenyl)methanimine
PubChem CID130179393
Molecular FormulaC7H4BrClFN
Molecular Weight236.47 g/mol
Exact Mass234.92
IUPAC NameN-(4-bromo-3-chloro-5-fluorophenyl)methanimine
SMILESC=Nc1cc(F)c(Br)c(Cl)c1
InChIInChI=1S/C7H4BrClFN/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H2
InChIKeyAKDBDXUOUPAUEI-UHFFFAOYSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.47
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chloro-5-fluorophenyl)methanimine?
The IUPAC name of N-(4-bromo-3-chloro-5-fluorophenyl)methanimine (CID 130179393) is N-(4-bromo-3-chloro-5-fluorophenyl)methanimine.
What is the SMILES notation for N-(4-bromo-3-chloro-5-fluorophenyl)methanimine?
The canonical SMILES for N-(4-bromo-3-chloro-5-fluorophenyl)methanimine is C=Nc1cc(F)c(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chloro-5-fluorophenyl)methanimine?
The InChIKey is AKDBDXUOUPAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClFN/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H2.
What are the key properties of N-(4-bromo-3-chloro-5-fluorophenyl)methanimine?
N-(4-bromo-3-chloro-5-fluorophenyl)methanimine has a molecular weight of 236.47 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chloro-5-fluorophenyl)methanimine is sourced from PubChem (CID 130179393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).