ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate

C12H11FO3 — CID 83397358

IUPACethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c(F)cccc12
InChIInChI=1S/C12H11FO3/c1-3-15-12(14)10-7(2)16-11-8(10)5-4-6-9(11)13/h4-6H,3H2,1-2H3
InChIKeyMUDKQJVKWWTUJO-UHFFFAOYSA-N
MW222.21 g/mol
LogP3.06
Rot. Bonds2

About ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate

ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 83397358) has the molecular formula C12H11FO3 and a molecular weight of 222.21 g/mol. Its IUPAC name is ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate
PubChem CID83397358
Molecular FormulaC12H11FO3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Nameethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc2c(F)cccc12
InChIInChI=1S/C12H11FO3/c1-3-15-12(14)10-7(2)16-11-8(10)5-4-6-9(11)13/h4-6H,3H2,1-2H3
InChIKeyMUDKQJVKWWTUJO-UHFFFAOYSA-N
XLogP3.06
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,6-difluorobenzoate
CID 519631
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 4-carbamoyl-5-[[2-(2,6-difluorobenzoyl)oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 9203357
ethyl 5,6,7,8-tetrafluoro-2-methyl-4-oxochromene-3-carboxylate
CID 660935
2-(7-fluoro-2-methyl-1-benzofuran-3-yl)propanoic acid
CID 83910703
ethyl 7-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylate
CID 163380871
ethyl 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methylbenzo[g][1]benzofuran-3-carboxylate;hydrochloride
CID 138402117
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-chlorosulfonyl-6-fluorobenzoate
CID 112556122

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate (CID 83397358) is ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate is CCOC(=O)c1c(C)oc2c(F)cccc12.
What is the InChIKey of ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is MUDKQJVKWWTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-3-15-12(14)10-7(2)16-11-8(10)5-4-6-9(11)13/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate?
ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 222.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 83397358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).