N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine

C18H12F2N2O — CID 20701907

IUPACN-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine
SMILESFc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2F)o1
InChIInChI=1S/C18H12F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-12H/b21-11+,22-12+
InChIKeySETSIFQALXYXPV-XHQRYOPUSA-N
MW310.30 g/mol
LogP5.06
Rot. Bonds4

About N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine

N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine (PubChem CID 20701907) has the molecular formula C18H12F2N2O and a molecular weight of 310.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine
PubChem CID20701907
Molecular FormulaC18H12F2N2O
Molecular Weight310.30 g/mol
Exact Mass310.09
IUPAC NameN-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine
SMILESFc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2F)o1
InChIInChI=1S/C18H12F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-12H/b21-11+,22-12+
InChIKeySETSIFQALXYXPV-XHQRYOPUSA-N
XLogP5.06
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine (CID 20701907) is N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine is Fc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2F)o1.
What is the InChIKey of N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine?
The InChIKey is SETSIFQALXYXPV-XHQRYOPUSA-N. The full InChI is InChI=1S/C18H12F2N2O/c19-15-5-1-3-7-17(15)21-11-13-9-10-14(23-13)12-22-18-8-4-2-6-16(18)20/h1-12H/b21-11+,22-12+.
What are the key properties of N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine?
N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine has a molecular weight of 310.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine is sourced from PubChem (CID 20701907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).