1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine

C18H13FN2O — CID 118602904

IUPAC1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
SMILESFc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1
InChIInChI=1S/C18H13FN2O/c19-14-6-8-16(9-7-14)21-13-18-11-10-17(22-18)12-20-15-4-2-1-3-5-15/h1-13H/b20-12+,21-13+
InChIKeyIJXQKPRUTGXOKV-ZIOPAAQOSA-N
MW292.31 g/mol
LogP4.92
Rot. Bonds4

About 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine

1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine (PubChem CID 118602904) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
PubChem CID118602904
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
SMILESFc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1
InChIInChI=1S/C18H13FN2O/c19-14-6-8-16(9-7-14)21-13-18-11-10-17(22-18)12-20-15-4-2-1-3-5-15/h1-13H/b20-12+,21-13+
InChIKeyIJXQKPRUTGXOKV-ZIOPAAQOSA-N
XLogP4.92
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.92
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 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The IUPAC name of 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine (CID 118602904) is 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine is Fc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1.
What is the InChIKey of 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The InChIKey is IJXQKPRUTGXOKV-ZIOPAAQOSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-14-6-8-16(9-7-14)21-13-18-11-10-17(22-18)12-20-15-4-2-1-3-5-15/h1-13H/b20-12+,21-13+.
What are the key properties of 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine has a molecular weight of 292.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine is sourced from PubChem (CID 118602904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).