4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride

C12H6ClFN2O2 — CID 142499866

IUPAC4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(F)c3)cccc2o1
InChIInChI=1S/C12H6ClFN2O2/c13-12(17)10-4-7-8(2-1-3-9(7)18-10)16-5-11(14)15-6-16/h1-6H
InChIKeyYFWYFWOSZOIDCH-UHFFFAOYSA-N
MW264.64 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride

4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride (PubChem CID 142499866) has the molecular formula C12H6ClFN2O2 and a molecular weight of 264.64 g/mol. Its IUPAC name is 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride.

Molecular Properties

Compound Name4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
PubChem CID142499866
Molecular FormulaC12H6ClFN2O2
Molecular Weight264.64 g/mol
Exact Mass264.01
IUPAC Name4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(F)c3)cccc2o1
InChIInChI=1S/C12H6ClFN2O2/c13-12(17)10-4-7-8(2-1-3-9(7)18-10)16-5-11(14)15-6-16/h1-6H
InChIKeyYFWYFWOSZOIDCH-UHFFFAOYSA-N
XLogP3.14
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The IUPAC name of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride (CID 142499866) is 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride.
What is the SMILES notation for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The canonical SMILES for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride is O=C(Cl)c1cc2c(-n3cnc(F)c3)cccc2o1.
What is the InChIKey of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The InChIKey is YFWYFWOSZOIDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O2/c13-12(17)10-4-7-8(2-1-3-9(7)18-10)16-5-11(14)15-6-16/h1-6H.
What are the key properties of 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride has a molecular weight of 264.64 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroimidazol-1-yl)-1-benzofuran-2-carbonyl chloride is sourced from PubChem (CID 142499866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).