3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid

C13H11FO4 — CID 139369352

IUPAC3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2cc(F)cc3ccoc23)C1
InChIInChI=1S/C13H11FO4/c14-9-3-7-1-2-17-12(7)11(6-9)18-10-4-8(5-10)13(15)16/h1-3,6,8,10H,4-5H2,(H,15,16)
InChIKeyWBCDNLSFVNOUBD-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.81
Rot. Bonds3

About 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid

3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid (PubChem CID 139369352) has the molecular formula C13H11FO4 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid
PubChem CID139369352
Molecular FormulaC13H11FO4
Molecular Weight250.22 g/mol
Exact Mass250.06
IUPAC Name3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2cc(F)cc3ccoc23)C1
InChIInChI=1S/C13H11FO4/c14-9-3-7-1-2-17-12(7)11(6-9)18-10-4-8(5-10)13(15)16/h1-3,6,8,10H,4-5H2,(H,15,16)
InChIKeyWBCDNLSFVNOUBD-UHFFFAOYSA-N
XLogP2.81
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid (CID 139369352) is 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2cc(F)cc3ccoc23)C1.
What is the InChIKey of 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid?
The InChIKey is WBCDNLSFVNOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO4/c14-9-3-7-1-2-17-12(7)11(6-9)18-10-4-8(5-10)13(15)16/h1-3,6,8,10H,4-5H2,(H,15,16).
What are the key properties of 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid?
3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid has a molecular weight of 250.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-1-benzofuran-7-yl)oxy]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 139369352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).