2-fluoro-4-(4-iodophenyl)sulfanylphenol

C12H8FIOS — CID 91879538

IUPAC2-fluoro-4-(4-iodophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(I)cc2)cc1F
InChIInChI=1S/C12H8FIOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H
InChIKeyABIODJHACRMSAB-UHFFFAOYSA-N
MW346.16 g/mol
LogP4.29
Rot. Bonds2

About 2-fluoro-4-(4-iodophenyl)sulfanylphenol

2-fluoro-4-(4-iodophenyl)sulfanylphenol (PubChem CID 91879538) has the molecular formula C12H8FIOS and a molecular weight of 346.16 g/mol. Its IUPAC name is 2-fluoro-4-(4-iodophenyl)sulfanylphenol.

Molecular Properties

Compound Name2-fluoro-4-(4-iodophenyl)sulfanylphenol
PubChem CID91879538
Molecular FormulaC12H8FIOS
Molecular Weight346.16 g/mol
Exact Mass345.93
IUPAC Name2-fluoro-4-(4-iodophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(I)cc2)cc1F
InChIInChI=1S/C12H8FIOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H
InChIKeyABIODJHACRMSAB-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-4-(4-iodophenyl)sulfanylphenol?
The IUPAC name of 2-fluoro-4-(4-iodophenyl)sulfanylphenol (CID 91879538) is 2-fluoro-4-(4-iodophenyl)sulfanylphenol.
What is the SMILES notation for 2-fluoro-4-(4-iodophenyl)sulfanylphenol?
The canonical SMILES for 2-fluoro-4-(4-iodophenyl)sulfanylphenol is Oc1ccc(Sc2ccc(I)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-(4-iodophenyl)sulfanylphenol?
The InChIKey is ABIODJHACRMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIOS/c13-11-7-10(5-6-12(11)15)16-9-3-1-8(14)2-4-9/h1-7,15H.
What are the key properties of 2-fluoro-4-(4-iodophenyl)sulfanylphenol?
2-fluoro-4-(4-iodophenyl)sulfanylphenol has a molecular weight of 346.16 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-iodophenyl)sulfanylphenol is sourced from PubChem (CID 91879538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).