1,3,5-trifluoro-2,4,6-triiodobenzene

C6F3I3 — CID 3852430

IUPAC1,3,5-trifluoro-2,4,6-triiodobenzene
SMILESFc1c(I)c(F)c(I)c(F)c1I
InChIInChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKeyNTAZOPPTLZSXQH-UHFFFAOYSA-N
MW509.77 g/mol
LogP3.92
Rot. Bonds

About 1,3,5-trifluoro-2,4,6-triiodobenzene

1,3,5-trifluoro-2,4,6-triiodobenzene (PubChem CID 3852430) has the molecular formula C6F3I3 and a molecular weight of 509.77 g/mol. Its IUPAC name is 1,3,5-trifluoro-2,4,6-triiodobenzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2,4,6-triiodobenzene
PubChem CID3852430
Molecular FormulaC6F3I3
Molecular Weight509.77 g/mol
Exact Mass509.71
IUPAC Name1,3,5-trifluoro-2,4,6-triiodobenzene
SMILESFc1c(I)c(F)c(I)c(F)c1I
InChIInChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKeyNTAZOPPTLZSXQH-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.77
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2,4,6-triiodobenzene?
The IUPAC name of 1,3,5-trifluoro-2,4,6-triiodobenzene (CID 3852430) is 1,3,5-trifluoro-2,4,6-triiodobenzene.
What is the SMILES notation for 1,3,5-trifluoro-2,4,6-triiodobenzene?
The canonical SMILES for 1,3,5-trifluoro-2,4,6-triiodobenzene is Fc1c(I)c(F)c(I)c(F)c1I.
What is the InChIKey of 1,3,5-trifluoro-2,4,6-triiodobenzene?
The InChIKey is NTAZOPPTLZSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11.
What are the key properties of 1,3,5-trifluoro-2,4,6-triiodobenzene?
1,3,5-trifluoro-2,4,6-triiodobenzene has a molecular weight of 509.77 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2,4,6-triiodobenzene is sourced from PubChem (CID 3852430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).