2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene

C8H8FIOS — CID 171367916

IUPAC2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
SMILESCOc1cc(SC)cc(I)c1F
InChIInChI=1S/C8H8FIOS/c1-11-7-4-5(12-2)3-6(10)8(7)9/h3-4H,1-2H3
InChIKeyXLHUYNPQFYHOFD-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.16
Rot. Bonds2

About 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene

2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene (PubChem CID 171367916) has the molecular formula C8H8FIOS and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
PubChem CID171367916
Molecular FormulaC8H8FIOS
Molecular Weight298.12 g/mol
Exact Mass297.93
IUPAC Name2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
SMILESCOc1cc(SC)cc(I)c1F
InChIInChI=1S/C8H8FIOS/c1-11-7-4-5(12-2)3-6(10)8(7)9/h3-4H,1-2H3
InChIKeyXLHUYNPQFYHOFD-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.16
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 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene (CID 171367916) is 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene is COc1cc(SC)cc(I)c1F.
What is the InChIKey of 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene?
The InChIKey is XLHUYNPQFYHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIOS/c1-11-7-4-5(12-2)3-6(10)8(7)9/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene?
2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene has a molecular weight of 298.12 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene is sourced from PubChem (CID 171367916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).