1,3,5-triiodo-2-(trifluoromethyl)benzene

C7H2F3I3 — CID 54176960

IUPAC1,3,5-triiodo-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(I)cc(I)cc1I
InChIInChI=1S/C7H2F3I3/c8-7(9,10)6-4(12)1-3(11)2-5(6)13/h1-2H
InChIKeyOZBLOAIGDKAGJL-UHFFFAOYSA-N
MW523.80 g/mol
LogP4.52
Rot. Bonds

About 1,3,5-triiodo-2-(trifluoromethyl)benzene

1,3,5-triiodo-2-(trifluoromethyl)benzene (PubChem CID 54176960) has the molecular formula C7H2F3I3 and a molecular weight of 523.80 g/mol. Its IUPAC name is 1,3,5-triiodo-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3,5-triiodo-2-(trifluoromethyl)benzene
PubChem CID54176960
Molecular FormulaC7H2F3I3
Molecular Weight523.80 g/mol
Exact Mass523.72
IUPAC Name1,3,5-triiodo-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1c(I)cc(I)cc1I
InChIInChI=1S/C7H2F3I3/c8-7(9,10)6-4(12)1-3(11)2-5(6)13/h1-2H
InChIKeyOZBLOAIGDKAGJL-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triiodo-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3,5-triiodo-2-(trifluoromethyl)benzene (CID 54176960) is 1,3,5-triiodo-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3,5-triiodo-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3,5-triiodo-2-(trifluoromethyl)benzene is FC(F)(F)c1c(I)cc(I)cc1I.
What is the InChIKey of 1,3,5-triiodo-2-(trifluoromethyl)benzene?
The InChIKey is OZBLOAIGDKAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3I3/c8-7(9,10)6-4(12)1-3(11)2-5(6)13/h1-2H.
What are the key properties of 1,3,5-triiodo-2-(trifluoromethyl)benzene?
1,3,5-triiodo-2-(trifluoromethyl)benzene has a molecular weight of 523.80 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triiodo-2-(trifluoromethyl)benzene is sourced from PubChem (CID 54176960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).