1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine

C14H10Cl2FN — CID 2732892

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
SMILESFc1cccc(Cl)c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2FN/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7,9H,8H2/b18-9+
InChIKeyOUJHMSAWWFYNRM-GIJQJNRQSA-N
MW282.15 g/mol
LogP4.75
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine

1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine (PubChem CID 2732892) has the molecular formula C14H10Cl2FN and a molecular weight of 282.15 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
PubChem CID2732892
Molecular FormulaC14H10Cl2FN
Molecular Weight282.15 g/mol
Exact Mass281.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine
SMILESFc1cccc(Cl)c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2FN/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7,9H,8H2/b18-9+
InChIKeyOUJHMSAWWFYNRM-GIJQJNRQSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 54.75
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-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine (CID 2732892) is 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine is Fc1cccc(Cl)c1/C=N/Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine?
The InChIKey is OUJHMSAWWFYNRM-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10Cl2FN/c15-11-6-4-10(5-7-11)8-18-9-12-13(16)2-1-3-14(12)17/h1-7,9H,8H2/b18-9+.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine?
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine has a molecular weight of 282.15 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]methanimine is sourced from PubChem (CID 2732892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).