methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate

C11H9FO4 — CID 165463721

IUPACmethyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cc(F)c(OC)cc2o1
InChIInChI=1S/C11H9FO4/c1-14-9-5-8-6(3-7(9)12)4-10(16-8)11(13)15-2/h3-5H,1-2H3
InChIKeyJSLFBMOUVIAGGF-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.37
Rot. Bonds2

About methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate

methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate (PubChem CID 165463721) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
PubChem CID165463721
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Namemethyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2cc(F)c(OC)cc2o1
InChIInChI=1S/C11H9FO4/c1-14-9-5-8-6(3-7(9)12)4-10(16-8)11(13)15-2/h3-5H,1-2H3
InChIKeyJSLFBMOUVIAGGF-UHFFFAOYSA-N
XLogP2.37
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-fluoro-5-methoxy-1-benzofuran-2-carboxylate
CID 134180527
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
methyl 6-fluoro-1-benzofuran-2-carboxylate
CID 118988296
methyl 5-ethyl-1-benzofuran-2-carboxylate
CID 121014658
methyl 6-(aminomethyl)-1-benzofuran-2-carboxylate
CID 84778259
methyl 5-fluoro-6-methoxy-1-benzothiophene-2-carboxylate
CID 162421029
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
CID 14916652
6-iodo-5-methoxy-1-benzofuran-2-carbothioic S-acid
CID 163960356
methyl 5-[(4-amino-5-fluoropyrimidin-2-yl)amino]-1-benzofuran-2-carboxylate
CID 123321949
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate (CID 165463721) is methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate is COC(=O)c1cc2cc(F)c(OC)cc2o1.
What is the InChIKey of methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is JSLFBMOUVIAGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4/c1-14-9-5-8-6(3-7(9)12)4-10(16-8)11(13)15-2/h3-5H,1-2H3.
What are the key properties of methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate?
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 224.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 165463721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).