1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine

C13H8F3N — CID 23329229

IUPAC1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
SMILESFc1cccc(/N=C/c2cccc(F)c2F)c1
InChIInChI=1S/C13H8F3N/c14-10-4-2-5-11(7-10)17-8-9-3-1-6-12(15)13(9)16/h1-8H/b17-8+
InChIKeyFNQGFGIZEABIDR-CAOOACKPSA-N
MW235.21 g/mol
LogP3.85
Rot. Bonds2

About 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine

1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine (PubChem CID 23329229) has the molecular formula C13H8F3N and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
PubChem CID23329229
Molecular FormulaC13H8F3N
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine
SMILESFc1cccc(/N=C/c2cccc(F)c2F)c1
InChIInChI=1S/C13H8F3N/c14-10-4-2-5-11(7-10)17-8-9-3-1-6-12(15)13(9)16/h1-8H/b17-8+
InChIKeyFNQGFGIZEABIDR-CAOOACKPSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 53.85
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-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine (CID 23329229) is 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine is Fc1cccc(/N=C/c2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine?
The InChIKey is FNQGFGIZEABIDR-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8F3N/c14-10-4-2-5-11(7-10)17-8-9-3-1-6-12(15)13(9)16/h1-8H/b17-8+.
What are the key properties of 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine?
1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine has a molecular weight of 235.21 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-(3-fluorophenyl)methanimine is sourced from PubChem (CID 23329229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).