1-(5-fluoro-1-benzofuran-2-yl)propan-1-one

C11H9FO2 — CID 65426130

IUPAC1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H9FO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3
InChIKeyQWMLVFUCPRAJIV-UHFFFAOYSA-N
MW192.19 g/mol
LogP3.16
Rot. Bonds2

About 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one

1-(5-fluoro-1-benzofuran-2-yl)propan-1-one (PubChem CID 65426130) has the molecular formula C11H9FO2 and a molecular weight of 192.19 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
PubChem CID65426130
Molecular FormulaC11H9FO2
Molecular Weight192.19 g/mol
Exact Mass192.06
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C11H9FO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3
InChIKeyQWMLVFUCPRAJIV-UHFFFAOYSA-N
XLogP3.16
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 114726166
1-(5-fluoro-1-benzofuran-2-yl)-3-(3-methylphenyl)propan-1-one
CID 105132388
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one (CID 65426130) is 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one is CCC(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
The InChIKey is QWMLVFUCPRAJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO2/c1-2-9(13)11-6-7-5-8(12)3-4-10(7)14-11/h3-6H,2H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one?
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one has a molecular weight of 192.19 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65426130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).