1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine

C14H10ClF2N — CID 134343177

IUPAC1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C14H10ClF2N/c1-9-2-4-10(5-3-9)18-8-11-12(16)6-7-13(17)14(11)15/h2-8H,1H3/b18-8+
InChIKeyADRRKIHRLZWLPH-QGMBQPNBSA-N
MW265.69 g/mol
LogP4.68
Rot. Bonds2

About 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine

1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine (PubChem CID 134343177) has the molecular formula C14H10ClF2N and a molecular weight of 265.69 g/mol. Its IUPAC name is 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine
PubChem CID134343177
Molecular FormulaC14H10ClF2N
Molecular Weight265.69 g/mol
Exact Mass265.05
IUPAC Name1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2c(F)ccc(F)c2Cl)cc1
InChIInChI=1S/C14H10ClF2N/c1-9-2-4-10(5-3-9)18-8-11-12(16)6-7-13(17)14(11)15/h2-8H,1H3/b18-8+
InChIKeyADRRKIHRLZWLPH-QGMBQPNBSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine (CID 134343177) is 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2c(F)ccc(F)c2Cl)cc1.
What is the InChIKey of 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is ADRRKIHRLZWLPH-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10ClF2N/c1-9-2-4-10(5-3-9)18-8-11-12(16)6-7-13(17)14(11)15/h2-8H,1H3/b18-8+.
What are the key properties of 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine?
1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 265.69 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,6-difluorophenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 134343177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).