1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine

C12H8Cl3NO — CID 2351279

IUPAC1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine
SMILESCc1ccc(/C=N/c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C12H8Cl3NO/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-6H,1H3/b16-6+
InChIKeyILUMOJQCLIVCQD-OMCISZLKSA-N
MW288.56 g/mol
LogP5.30
Rot. Bonds2

About 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine

1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine (PubChem CID 2351279) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine
PubChem CID2351279
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine
SMILESCc1ccc(/C=N/c2c(Cl)cc(Cl)cc2Cl)o1
InChIInChI=1S/C12H8Cl3NO/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-6H,1H3/b16-6+
InChIKeyILUMOJQCLIVCQD-OMCISZLKSA-N
XLogP5.30
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine (CID 2351279) is 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine is Cc1ccc(/C=N/c2c(Cl)cc(Cl)cc2Cl)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine?
The InChIKey is ILUMOJQCLIVCQD-OMCISZLKSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c1-7-2-3-9(17-7)6-16-12-10(14)4-8(13)5-11(12)15/h2-6H,1H3/b16-6+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine?
1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine has a molecular weight of 288.56 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(2,4,6-trichlorophenyl)methanimine is sourced from PubChem (CID 2351279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).