1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene

C13H10FIOS — CID 154330077

IUPAC1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H10FIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyAEZVOAFVFBDFMK-UHFFFAOYSA-N
MW360.19 g/mol
LogP3.74
Rot. Bonds3

About 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene

1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene (PubChem CID 154330077) has the molecular formula C13H10FIOS and a molecular weight of 360.19 g/mol. Its IUPAC name is 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
PubChem CID154330077
Molecular FormulaC13H10FIOS
Molecular Weight360.19 g/mol
Exact Mass359.95
IUPAC Name1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1ccc(F)cc1)c1ccc(I)cc1
InChIInChI=1S/C13H10FIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2
InChIKeyAEZVOAFVFBDFMK-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The IUPAC name of 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene (CID 154330077) is 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene is O=S(Cc1ccc(F)cc1)c1ccc(I)cc1.
What is the InChIKey of 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
The InChIKey is AEZVOAFVFBDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIOS/c14-11-3-1-10(2-4-11)9-17(16)13-7-5-12(15)6-8-13/h1-8H,9H2.
What are the key properties of 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene?
1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene has a molecular weight of 360.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 154330077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).