methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate

C11H9FO4 — CID 117321227

IUPACmethyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H9FO4/c1-15-11(14)9(13)8-7(12)3-2-6-4-5-16-10(6)8/h2-5,9,13H,1H3
InChIKeyINOAGSGVFYRWSE-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.78
Rot. Bonds2

About methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate

methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate (PubChem CID 117321227) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
PubChem CID117321227
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Namemethyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)ccc2ccoc12
InChIInChI=1S/C11H9FO4/c1-15-11(14)9(13)8-7(12)3-2-6-4-5-16-10(6)8/h2-5,9,13H,1H3
InChIKeyINOAGSGVFYRWSE-UHFFFAOYSA-N
XLogP1.78
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[2-amino-1-(6-fluoro-1-benzofuran-7-yl)propyl] oxalate
CID 57122066
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319085
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
CID 117283511
methyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117362062
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetate
CID 117393530
ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
CID 117393392
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate (CID 117321227) is methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate is COC(=O)C(O)c1c(F)ccc2ccoc12.
What is the InChIKey of methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate?
The InChIKey is INOAGSGVFYRWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4/c1-15-11(14)9(13)8-7(12)3-2-6-4-5-16-10(6)8/h2-5,9,13H,1H3.
What are the key properties of methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate?
methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate has a molecular weight of 224.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-1-benzofuran-7-yl)-2-hydroxyacetate is sourced from PubChem (CID 117321227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).