1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid

C13H11FO3 — CID 117339986

IUPAC1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3ccoc3cc2F)CCC1
InChIInChI=1S/C13H11FO3/c14-10-7-11-8(2-5-17-11)6-9(10)13(12(15)16)3-1-4-13/h2,5-7H,1,3-4H2,(H,15,16)
InChIKeyNKVUWEBIACECHC-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.08
Rot. Bonds2

About 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid

1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 117339986) has the molecular formula C13H11FO3 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
PubChem CID117339986
Molecular FormulaC13H11FO3
Molecular Weight234.23 g/mol
Exact Mass234.07
IUPAC Name1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3ccoc3cc2F)CCC1
InChIInChI=1S/C13H11FO3/c14-10-7-11-8(2-5-17-11)6-9(10)13(12(15)16)3-1-4-13/h2,5-7H,1,3-4H2,(H,15,16)
InChIKeyNKVUWEBIACECHC-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-(6-fluoro-1-benzofuran-5-yl)cyclopentan-1-amine
CID 117312291
1-(6-fluoro-1-benzofuran-7-yl)cyclobutane-1-carboxylic acid
CID 117339985
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
5-(1-carboxycyclobutyl)-4-fluoro-2-methylbenzoic acid
CID 117383281
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(6-fluoro-4H-1,3-benzodioxin-7-yl)cyclopentane-1-carboxylic acid
CID 117419384
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
1-(2,3,5-trifluorophenyl)cyclobutane-1-carboxylic acid
CID 117114337
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid (CID 117339986) is 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc3ccoc3cc2F)CCC1.
What is the InChIKey of 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is NKVUWEBIACECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3/c14-10-7-11-8(2-5-17-11)6-9(10)13(12(15)16)3-1-4-13/h2,5-7H,1,3-4H2,(H,15,16).
What are the key properties of 1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid?
1-(6-fluoro-1-benzofuran-5-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-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117339986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).