N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine

C14H10ClF2N — CID 102479660

IUPACN-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine
SMILESFc1cccc(F)c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2N/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+
InChIKeyCUZYGUMSYFHBBC-GIJQJNRQSA-N
MW265.69 g/mol
LogP4.24
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine

N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine (PubChem CID 102479660) has the molecular formula C14H10ClF2N and a molecular weight of 265.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine
PubChem CID102479660
Molecular FormulaC14H10ClF2N
Molecular Weight265.69 g/mol
Exact Mass265.05
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine
SMILESFc1cccc(F)c1/C=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2N/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+
InChIKeyCUZYGUMSYFHBBC-GIJQJNRQSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 54.24
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-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine (CID 102479660) is N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine is Fc1cccc(F)c1/C=N/Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine?
The InChIKey is CUZYGUMSYFHBBC-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10ClF2N/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 N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine?
N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine has a molecular weight of 265.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2,6-difluorophenyl)methanimine is sourced from PubChem (CID 102479660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).