1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid

C15H14F2O3 — CID 117449707

IUPAC1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)cc(F)c3occc23)CCCCC1
InChIInChI=1S/C15H14F2O3/c16-10-8-11(17)13-9(4-7-20-13)12(10)15(14(18)19)5-2-1-3-6-15/h4,7-8H,1-3,5-6H2,(H,18,19)
InChIKeyGAXMYXPTJVPUKY-UHFFFAOYSA-N
MW280.27 g/mol
LogP4.00
Rot. Bonds2

About 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid

1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid (PubChem CID 117449707) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
PubChem CID117449707
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)cc(F)c3occc23)CCCCC1
InChIInChI=1S/C15H14F2O3/c16-10-8-11(17)13-9(4-7-20-13)12(10)15(14(18)19)5-2-1-3-6-15/h4,7-8H,1-3,5-6H2,(H,18,19)
InChIKeyGAXMYXPTJVPUKY-UHFFFAOYSA-N
XLogP4.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid
CID 117339985
1-(5-chloro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117446983
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(2,6-difluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393686
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117339986

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid (CID 117449707) is 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2c(F)cc(F)c3occc23)CCCCC1.
What is the InChIKey of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GAXMYXPTJVPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c16-10-8-11(17)13-9(4-7-20-13)12(10)15(14(18)19)5-2-1-3-6-15/h4,7-8H,1-3,5-6H2,(H,18,19).
What are the key properties of 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid?
1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117449707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).