1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine

C19H16FNO2 — CID 23343866

IUPAC1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
SMILESFc1cccc(COc2ccc(/C=N/Cc3ccco3)cc2)c1
InChIInChI=1S/C19H16FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1-12H,13-14H2/b21-12+
InChIKeyPWUQFCKDWMGIJF-CIAFOILYSA-N
MW309.34 g/mol
LogP4.62
Rot. Bonds6

About 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine

1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine (PubChem CID 23343866) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
PubChem CID23343866
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine
SMILESFc1cccc(COc2ccc(/C=N/Cc3ccco3)cc2)c1
InChIInChI=1S/C19H16FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1-12H,13-14H2/b21-12+
InChIKeyPWUQFCKDWMGIJF-CIAFOILYSA-N
XLogP4.62
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.62
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-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The IUPAC name of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine (CID 23343866) is 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine is Fc1cccc(COc2ccc(/C=N/Cc3ccco3)cc2)c1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
The InChIKey is PWUQFCKDWMGIJF-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16FNO2/c20-17-4-1-3-16(11-17)14-23-18-8-6-15(7-9-18)12-21-13-19-5-2-10-22-19/h1-12H,13-14H2/b21-12+.
What are the key properties of 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine?
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine has a molecular weight of 309.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)methanimine is sourced from PubChem (CID 23343866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).