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

C10H9FOS — CID 117174338

IUPAC5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
SMILESCSCc1coc2ccc(F)cc12
InChIInChI=1S/C10H9FOS/c1-13-6-7-5-12-10-3-2-8(11)4-9(7)10/h2-5H,6H2,1H3
InChIKeyVJVBDDDSKDXQNV-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.43
Rot. Bonds2

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

5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran (PubChem CID 117174338) has the molecular formula C10H9FOS and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
PubChem CID117174338
Molecular FormulaC10H9FOS
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
SMILESCSCc1coc2ccc(F)cc12
InChIInChI=1S/C10H9FOS/c1-13-6-7-5-12-10-3-2-8(11)4-9(7)10/h2-5H,6H2,1H3
InChIKeyVJVBDDDSKDXQNV-UHFFFAOYSA-N
XLogP3.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran?
The IUPAC name of 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran (CID 117174338) is 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran.
What is the SMILES notation for 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran?
The canonical SMILES for 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran is CSCc1coc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran?
The InChIKey is VJVBDDDSKDXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FOS/c1-13-6-7-5-12-10-3-2-8(11)4-9(7)10/h2-5H,6H2,1H3.
What are the key properties of 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran?
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran has a molecular weight of 196.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran is sourced from PubChem (CID 117174338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).