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

C13H7ClF3N — CID 134330430

IUPACN-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine
SMILESFc1cc(Cl)ccc1/N=C/c1c(F)cccc1F
InChIInChI=1S/C13H7ClF3N/c14-8-4-5-13(12(17)6-8)18-7-9-10(15)2-1-3-11(9)16/h1-7H/b18-7+
InChIKeyMAXLHSWZCKMIAE-CNHKJKLMSA-N
MW269.65 g/mol
LogP4.51
Rot. Bonds2

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

N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine (PubChem CID 134330430) has the molecular formula C13H7ClF3N and a molecular weight of 269.65 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine
PubChem CID134330430
Molecular FormulaC13H7ClF3N
Molecular Weight269.65 g/mol
Exact Mass269.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine
SMILESFc1cc(Cl)ccc1/N=C/c1c(F)cccc1F
InChIInChI=1S/C13H7ClF3N/c14-8-4-5-13(12(17)6-8)18-7-9-10(15)2-1-3-11(9)16/h1-7H/b18-7+
InChIKeyMAXLHSWZCKMIAE-CNHKJKLMSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 54.51
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 N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine (CID 134330430) is N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine is Fc1cc(Cl)ccc1/N=C/c1c(F)cccc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine?
The InChIKey is MAXLHSWZCKMIAE-CNHKJKLMSA-N. The full InChI is InChI=1S/C13H7ClF3N/c14-8-4-5-13(12(17)6-8)18-7-9-10(15)2-1-3-11(9)16/h1-7H/b18-7+.
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine?
N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine has a molecular weight of 269.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)methanimine is sourced from PubChem (CID 134330430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).