3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol

C15H9F2NO2 — CID 3826081

IUPAC3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C15H9F2NO2/c16-9-5-6-13(12(17)7-9)18-8-14-10-3-1-2-4-11(10)15(19)20-14/h1-8,19H/b18-8+
InChIKeySNIHNRNAEIXLEW-QGMBQPNBSA-N
MW273.24 g/mol
LogP4.17
Rot. Bonds2

About 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol

3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol (PubChem CID 3826081) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol
PubChem CID3826081
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol
SMILESOc1oc(/C=N/c2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C15H9F2NO2/c16-9-5-6-13(12(17)7-9)18-8-14-10-3-1-2-4-11(10)15(19)20-14/h1-8,19H/b18-8+
InChIKeySNIHNRNAEIXLEW-QGMBQPNBSA-N
XLogP4.17
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
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 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol?
The IUPAC name of 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol (CID 3826081) is 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol.
What is the SMILES notation for 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol?
The canonical SMILES for 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol is Oc1oc(/C=N/c2ccc(F)cc2F)c2ccccc12.
What is the InChIKey of 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol?
The InChIKey is SNIHNRNAEIXLEW-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-9-5-6-13(12(17)7-9)18-8-14-10-3-1-2-4-11(10)15(19)20-14/h1-8,19H/b18-8+.
What are the key properties of 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol?
3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol has a molecular weight of 273.24 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)iminomethyl]-2-benzofuran-1-ol is sourced from PubChem (CID 3826081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).