4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene

C8H3F6IS — CID 75530182

IUPAC4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C8H3F6IS/c9-7(10,11)5-3-4(15)1-2-6(5)16-8(12,13)14/h1-3H
InChIKeyMUERXKQPKMEGDT-UHFFFAOYSA-N
MW372.07 g/mol
LogP4.92
Rot. Bonds1

About 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene

4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene (PubChem CID 75530182) has the molecular formula C8H3F6IS and a molecular weight of 372.07 g/mol. Its IUPAC name is 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
PubChem CID75530182
Molecular FormulaC8H3F6IS
Molecular Weight372.07 g/mol
Exact Mass371.89
IUPAC Name4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C8H3F6IS/c9-7(10,11)5-3-4(15)1-2-6(5)16-8(12,13)14/h1-3H
InChIKeyMUERXKQPKMEGDT-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.07
LogP ≤ 54.92
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 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene (CID 75530182) is 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
The InChIKey is MUERXKQPKMEGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6IS/c9-7(10,11)5-3-4(15)1-2-6(5)16-8(12,13)14/h1-3H.
What are the key properties of 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene?
4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene has a molecular weight of 372.07 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 75530182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).