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

C10H7FO3 — CID 118988296

IUPACmethyl 6-fluoro-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2o1
InChIInChI=1S/C10H7FO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKeyZJZSVBINTUWFLW-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.36
Rot. Bonds1

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

methyl 6-fluoro-1-benzofuran-2-carboxylate (PubChem CID 118988296) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is methyl 6-fluoro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-1-benzofuran-2-carboxylate
PubChem CID118988296
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Namemethyl 6-fluoro-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2ccc(F)cc2o1
InChIInChI=1S/C10H7FO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKeyZJZSVBINTUWFLW-UHFFFAOYSA-N
XLogP2.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzofurancarboxaldehyde
CID 61341
Benzofuran-2-carboxylic acid
CID 10331
2-Acetylbenzofuran
CID 15435
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
Ethanone, 1-(3-methyl-2-benzofuranyl)-
CID 2507689
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-Benzoylbenzofuran
CID 95808
2-Benzofurancarboxylic acid, 5-methoxy-, ethyl ester
CID 521283
1-(7-Ethoxy-1-benzofuran-2-yl)ethan-1-one
CID 3868801
5-Benzyl-furan-2-carboxylic acid methyl ester
CID 766979
Methyl 5-(2-phenyleth-1-ynyl)-2-furoate
CID 683988
Ethyl 4-(acetyloxy)-3-methyl-1-benzofuran-2-carboxylate
CID 790878

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 6-fluoro-1-benzofuran-2-carboxylate (CID 118988296) is methyl 6-fluoro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-1-benzofuran-2-carboxylate is COC(=O)c1cc2ccc(F)cc2o1.
What is the InChIKey of methyl 6-fluoro-1-benzofuran-2-carboxylate?
The InChIKey is ZJZSVBINTUWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3.
What are the key properties of methyl 6-fluoro-1-benzofuran-2-carboxylate?
methyl 6-fluoro-1-benzofuran-2-carboxylate has a molecular weight of 194.16 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 118988296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).