2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid

C12H10F2O3 — CID 84800371

IUPAC2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(F)cc2occc2c1F
InChIInChI=1S/C12H10F2O3/c1-2-6(12(15)16)10-8(13)5-9-7(11(10)14)3-4-17-9/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMVQXDCMEJXUFHT-UHFFFAOYSA-N
MW240.20 g/mol
LogP3.29
Rot. Bonds3

About 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid

2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid (PubChem CID 84800371) has the molecular formula C12H10F2O3 and a molecular weight of 240.20 g/mol. Its IUPAC name is 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
PubChem CID84800371
Molecular FormulaC12H10F2O3
Molecular Weight240.20 g/mol
Exact Mass240.06
IUPAC Name2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
SMILESCCC(C(=O)O)c1c(F)cc2occc2c1F
InChIInChI=1S/C12H10F2O3/c1-2-6(12(15)16)10-8(13)5-9-7(11(10)14)3-4-17-9/h3-6H,2H2,1H3,(H,15,16)
InChIKeyMVQXDCMEJXUFHT-UHFFFAOYSA-N
XLogP3.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5,6-tetrafluorophenyl)butanoic acid
CID 130134734
2-amino-1-(4,6-difluoro-1-benzofuran-5-yl)propan-1-ol
CID 84791246
3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
CID 117297072
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
CID 117393392
2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
CID 117332166
3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319085
2-(4-amino-3-fluorophenyl)butanoic acid
CID 67087857
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid
CID 175850702
3-(4-fluoro-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117344424

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid?
The IUPAC name of 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid (CID 84800371) is 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid.
What is the SMILES notation for 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid?
The canonical SMILES for 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid is CCC(C(=O)O)c1c(F)cc2occc2c1F.
What is the InChIKey of 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid?
The InChIKey is MVQXDCMEJXUFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O3/c1-2-6(12(15)16)10-8(13)5-9-7(11(10)14)3-4-17-9/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid?
2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid has a molecular weight of 240.20 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid is sourced from PubChem (CID 84800371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).