1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid

C13H11FO3 — CID 117339985

IUPAC1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)ccc3ccoc23)CCC1
InChIInChI=1S/C13H11FO3/c14-9-3-2-8-4-7-17-11(8)10(9)13(12(15)16)5-1-6-13/h2-4,7H,1,5-6H2,(H,15,16)
InChIKeyKUTHNBPDHMQZJL-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.08
Rot. Bonds2

About 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid

1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid (PubChem CID 117339985) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid
PubChem CID117339985
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)ccc3ccoc23)CCC1
InChIInChI=1S/C13H11FO3/c14-9-3-2-8-4-7-17-11(8)10(9)13(12(15)16)5-1-6-13/h2-4,7H,1,5-6H2,(H,15,16)
InChIKeyKUTHNBPDHMQZJL-UHFFFAOYSA-N
XLogP3.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117449707
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117339986
6-fluoro-7-(1-isocyanatocyclopropyl)-1-benzofuran
CID 117308906
1-(2,6-difluoro-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117399162
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117414944
4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid (CID 117339985) is 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2c(F)ccc3ccoc23)CCC1.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid?
The InChIKey is KUTHNBPDHMQZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-9-3-2-8-4-7-17-11(8)10(9)13(12(15)16)5-1-6-13/h2-4,7H,1,5-6H2,(H,15,16).
What are the key properties of 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid?
1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117339985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).