1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone

C11H9FO3 — CID 90418373

IUPAC1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(F)cc(CO)c2o1
InChIInChI=1S/C11H9FO3/c1-6(14)10-4-7-2-9(12)3-8(5-13)11(7)15-10/h2-4,13H,5H2,1H3
InChIKeyRRZROAKSBFMGDJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.27
Rot. Bonds2

About 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone

1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone (PubChem CID 90418373) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone
PubChem CID90418373
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(F)cc(CO)c2o1
InChIInChI=1S/C11H9FO3/c1-6(14)10-4-7-2-9(12)3-8(5-13)11(7)15-10/h2-4,13H,5H2,1H3
InChIKeyRRZROAKSBFMGDJ-UHFFFAOYSA-N
XLogP2.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone (CID 90418373) is 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cc(F)cc(CO)c2o1.
What is the InChIKey of 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone?
The InChIKey is RRZROAKSBFMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6(14)10-4-7-2-9(12)3-8(5-13)11(7)15-10/h2-4,13H,5H2,1H3.
What are the key properties of 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone?
1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone has a molecular weight of 208.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-7-(hydroxymethyl)-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 90418373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).