3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran

C11H11FOS — CID 117174340

IUPAC3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
SMILESCCSCc1coc2ccc(F)cc12
InChIInChI=1S/C11H11FOS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6H,2,7H2,1H3
InChIKeyCUJMKATVQNVPBA-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.83
Rot. Bonds3

About 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran

3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran (PubChem CID 117174340) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
PubChem CID117174340
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
SMILESCCSCc1coc2ccc(F)cc12
InChIInChI=1S/C11H11FOS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6H,2,7H2,1H3
InChIKeyCUJMKATVQNVPBA-UHFFFAOYSA-N
XLogP3.83
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
1-(ethylsulfanylmethyl)-2,4-difluorobenzene
CID 91657273
5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
CID 117174223
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
3-(2-aminobutyl)-6-fluorochromen-4-one
CID 170889079
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110488687
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran?
The IUPAC name of 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran (CID 117174340) is 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran?
The canonical SMILES for 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran is CCSCc1coc2ccc(F)cc12.
What is the InChIKey of 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran?
The InChIKey is CUJMKATVQNVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6H,2,7H2,1H3.
What are the key properties of 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran?
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran has a molecular weight of 210.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran is sourced from PubChem (CID 117174340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).