methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate

C11H9FO3 — CID 165463727

IUPACmethyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c(F)ccc(C)c12
InChIInChI=1S/C11H9FO3/c1-6-3-4-8(12)10-9(6)7(5-15-10)11(13)14-2/h3-5H,1-2H3
InChIKeyRFOCHOWANHWYIC-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.67
Rot. Bonds1

About methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate

methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate (PubChem CID 165463727) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate
PubChem CID165463727
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namemethyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate
SMILESCOC(=O)c1coc2c(F)ccc(C)c12
InChIInChI=1S/C11H9FO3/c1-6-3-4-8(12)10-9(6)7(5-15-10)11(13)14-2/h3-5H,1-2H3
InChIKeyRFOCHOWANHWYIC-UHFFFAOYSA-N
XLogP2.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate (CID 165463727) is methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate is COC(=O)c1coc2c(F)ccc(C)c12.
What is the InChIKey of methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate?
The InChIKey is RFOCHOWANHWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6-3-4-8(12)10-9(6)7(5-15-10)11(13)14-2/h3-5H,1-2H3.
What are the key properties of methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate?
methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-4-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 165463727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).