5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran

C9H6FIOS — CID 44622903

IUPAC5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran
SMILESCSc1oc2ccc(F)cc2c1I
InChIInChI=1S/C9H6FIOS/c1-13-9-8(11)6-4-5(10)2-3-7(6)12-9/h2-4H,1H3
InChIKeyFSCRTZJRATZWAB-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.90
Rot. Bonds1

About 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran

5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran (PubChem CID 44622903) has the molecular formula C9H6FIOS and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran
PubChem CID44622903
Molecular FormulaC9H6FIOS
Molecular Weight308.12 g/mol
Exact Mass307.92
IUPAC Name5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran
SMILESCSc1oc2ccc(F)cc2c1I
InChIInChI=1S/C9H6FIOS/c1-13-9-8(11)6-4-5(10)2-3-7(6)12-9/h2-4H,1H3
InChIKeyFSCRTZJRATZWAB-UHFFFAOYSA-N
XLogP3.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran?
The IUPAC name of 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran (CID 44622903) is 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran.
What is the SMILES notation for 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran?
The canonical SMILES for 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran is CSc1oc2ccc(F)cc2c1I.
What is the InChIKey of 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran?
The InChIKey is FSCRTZJRATZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIOS/c1-13-9-8(11)6-4-5(10)2-3-7(6)12-9/h2-4H,1H3.
What are the key properties of 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran?
5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran has a molecular weight of 308.12 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-2-methylsulfanyl-1-benzofuran is sourced from PubChem (CID 44622903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).