7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

C11H9FO4 — CID 114358978

IUPAC7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1c(C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C11H9FO4/c1-15-5-7-6-3-2-4-8(12)9(6)16-10(7)11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRTEUDMLWNXAYDK-UHFFFAOYSA-N
MW224.19 g/mol
LogP2.42
Rot. Bonds3

About 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid

7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 114358978) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
PubChem CID114358978
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Name7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
SMILESCOCc1c(C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C11H9FO4/c1-15-5-7-6-3-2-4-8(12)9(6)16-10(7)11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyRTEUDMLWNXAYDK-UHFFFAOYSA-N
XLogP2.42
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-(pyrrolidin-1-ylmethyl)-1-benzofuran-2-carboxylic acid
CID 82187810
3-[(3,5-dimethylpiperidin-1-yl)methyl]-7-fluoro-1-benzofuran-2-carboxylic acid
CID 82187801
7-chloro-5-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CID 114359108
3-(2-methoxyethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 43120658
7-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115902514
7-tert-butyl-5-ethyl-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CID 114359039
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 18079985
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18091742
2-(2-bromo-6-fluorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114561293

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid (CID 114358978) is 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid is COCc1c(C(=O)O)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is RTEUDMLWNXAYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4/c1-15-5-7-6-3-2-4-8(12)9(6)16-10(7)11(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid?
7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 224.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 114358978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).