1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone

C17H9FO2S — CID 105131462

IUPAC1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H9FO2S/c18-12-5-6-15-11(7-12)9-16(21-15)17(19)14-8-10-3-1-2-4-13(10)20-14/h1-9H
InChIKeyRMSRGJJXEDWCTN-UHFFFAOYSA-N
MW296.32 g/mol
LogP5.02
Rot. Bonds2

About 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone

1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 105131462) has the molecular formula C17H9FO2S and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID105131462
Molecular FormulaC17H9FO2S
Molecular Weight296.32 g/mol
Exact Mass296.03
IUPAC Name1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C17H9FO2S/c18-12-5-6-15-11(7-12)9-16(21-15)17(19)14-8-10-3-1-2-4-13(10)20-14/h1-9H
InChIKeyRMSRGJJXEDWCTN-UHFFFAOYSA-N
XLogP5.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.32
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115808833
2-(1-benzothiophene-2-carbonyl)-1-benzofuran-5-carbaldehyde
CID 15310182
1-(5-fluoro-1-benzothiophen-2-yl)but-3-yn-1-one
CID 105076300
bis(1-benzothiophen-2-yl)methanone
CID 5330534
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
1-(1-benzofuran-2-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 63091479
1-benzofuran-2-yl-(5-hydroxy-1-benzofuran-2-yl)methanone
CID 58035506
[5-(aminomethyl)furan-2-yl]-(1-benzofuran-2-yl)methanone
CID 114736959
1-(1-benzofuran-2-yl)ethanone
CID 15435
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 115808883
2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone (CID 105131462) is 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2ccccc2o1)c1cc2cc(F)ccc2s1.
What is the InChIKey of 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is RMSRGJJXEDWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FO2S/c18-12-5-6-15-11(7-12)9-16(21-15)17(19)14-8-10-3-1-2-4-13(10)20-14/h1-9H.
What are the key properties of 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone?
1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 296.32 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(5-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 105131462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).