2-(5-fluoro-1-benzofuran-4-yl)propanoic acid

C11H9FO3 — CID 117297072

IUPAC2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
SMILESCC(C(=O)O)c1c(F)ccc2occc12
InChIInChI=1S/C11H9FO3/c1-6(11(13)14)10-7-4-5-15-9(7)3-2-8(10)12/h2-6H,1H3,(H,13,14)
InChIKeyZCCVKCNSPCZAAQ-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.76
Rot. Bonds2

About 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid

2-(5-fluoro-1-benzofuran-4-yl)propanoic acid (PubChem CID 117297072) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
PubChem CID117297072
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name2-(5-fluoro-1-benzofuran-4-yl)propanoic acid
SMILESCC(C(=O)O)c1c(F)ccc2occc12
InChIInChI=1S/C11H9FO3/c1-6(11(13)14)10-7-4-5-15-9(7)3-2-8(10)12/h2-6H,1H3,(H,13,14)
InChIKeyZCCVKCNSPCZAAQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
CID 117332166
2-(6-fluoro-2,3-dihydroxyphenyl)propanoic acid
CID 117289034
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(2,6-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336107
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
2-(4,6-difluoro-1-benzofuran-5-yl)butanoic acid
CID 84800371
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
CID 117283381
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
1-(5-chloro-1-benzofuran-4-yl)ethanol
CID 117286507
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid?
The IUPAC name of 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid (CID 117297072) is 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid is CC(C(=O)O)c1c(F)ccc2occc12.
What is the InChIKey of 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid?
The InChIKey is ZCCVKCNSPCZAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6(11(13)14)10-7-4-5-15-9(7)3-2-8(10)12/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid?
2-(5-fluoro-1-benzofuran-4-yl)propanoic acid has a molecular weight of 208.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-benzofuran-4-yl)propanoic acid is sourced from PubChem (CID 117297072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).