2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone

C12H11FO2S — CID 114725353

IUPAC2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESCCSCC(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H11FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6H,2,7H2,1H3
InChIKeyDUWDTTFUTJVJPS-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.51
Rot. Bonds4

About 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone

2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 114725353) has the molecular formula C12H11FO2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID114725353
Molecular FormulaC12H11FO2S
Molecular Weight238.28 g/mol
Exact Mass238.05
IUPAC Name2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESCCSCC(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C12H11FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6H,2,7H2,1H3
InChIKeyDUWDTTFUTJVJPS-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-2-(3-fluorophenyl)sulfanylethanone
CID 114725527
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
1-(7-fluoro-1-benzofuran-2-yl)-4-methoxybutan-1-one
CID 114725347
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone (CID 114725353) is 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone is CCSCC(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is DUWDTTFUTJVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2S/c1-2-16-7-10(14)11-6-8-4-3-5-9(13)12(8)15-11/h3-6H,2,7H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 238.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114725353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).