7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid

C11H8ClFO3 — CID 62381223

IUPAC7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESCCc1c(C(=O)O)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H8ClFO3/c1-2-6-7-3-5(13)4-8(12)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyOQPSMOHOPGNMDV-UHFFFAOYSA-N
MW242.63 g/mol
LogP3.49
Rot. Bonds2

About 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid

7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 62381223) has the molecular formula C11H8ClFO3 and a molecular weight of 242.63 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID62381223
Molecular FormulaC11H8ClFO3
Molecular Weight242.63 g/mol
Exact Mass242.01
IUPAC Name7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESCCc1c(C(=O)O)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H8ClFO3/c1-2-6-7-3-5(13)4-8(12)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyOQPSMOHOPGNMDV-UHFFFAOYSA-N
XLogP3.49
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
5-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CID 865778
5-Chloro-1-benzofuran-2-carboxylic acid
CID 937838
5-(3-Chlorophenyl)furan-2-carboxylic acid
CID 736256
7-Fluoro-3-methyl-1-benzofuran-2-carboxylic acid
CID 2560313
6-Chloro-3-methyl-1-benzofuran-2-carboxylic acid
CID 13044634
5-(3-Chloro-4-fluorophenyl)furan-2-carboxylic acid
CID 2992775
Ethyl 5-chlorobenzofuran-2-carboxylate
CID 2799299
Ethyl 5-chloro-3-methylbenzofuran-2-carboxylate
CID 15643819
3-Chloro-1-benzofuran-2-carboxylic acid
CID 20389191
5-Fluoro-3-methylbenzofuran-2-carboxylic acid
CID 2144727
Ethyl 5,7-Dichlorobenzofuran-2-carboxylate
CID 45104336

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid (CID 62381223) is 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid is CCc1c(C(=O)O)oc2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is OQPSMOHOPGNMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO3/c1-2-6-7-3-5(13)4-8(12)9(7)16-10(6)11(14)15/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid?
7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 242.63 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 62381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).