3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one

C13H11FO2 — CID 114733135

IUPAC3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
SMILESO=C1CCC(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C13H11FO2/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8H,4-6H2
InChIKeySQRGFNDHPWXWQK-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.41
Rot. Bonds1

About 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one

3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one (PubChem CID 114733135) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
PubChem CID114733135
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
SMILESO=C1CCC(c2cc3cccc(F)c3o2)C1
InChIInChI=1S/C13H11FO2/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8H,4-6H2
InChIKeySQRGFNDHPWXWQK-UHFFFAOYSA-N
XLogP3.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
CID 114733255
2-(7-fluoro-1-benzofuran-2-yl)cycloheptane-1-carboxylic acid
CID 114735394
N-[[2-(7-fluoro-1-benzofuran-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 114735682
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
3-(4-fluoro-2-hydroxyphenyl)cyclopentan-1-one
CID 130044703
3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
3-(1-benzothiophen-2-yl)cyclopentan-1-one
CID 102578531
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
1-[2-(7-fluoro-1-benzofuran-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 114735841
3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 114244217
[4-ethyl-2-(7-fluoro-1-benzofuran-2-yl)cyclohexyl]methanamine
CID 114735537
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one?
The IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one (CID 114733135) is 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one is O=C1CCC(c2cc3cccc(F)c3o2)C1.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one?
The InChIKey is SQRGFNDHPWXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c14-11-3-1-2-9-7-12(16-13(9)11)8-4-5-10(15)6-8/h1-3,7-8H,4-6H2.
What are the key properties of 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one?
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one has a molecular weight of 218.23 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one is sourced from PubChem (CID 114733135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).