1,2,3-trifluoro-4-iodobenzene

C6H2F3I — CID 2779253

IUPAC1,2,3-trifluoro-4-iodobenzene
SMILESFc1ccc(I)c(F)c1F
InChIInChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKeyYDSUNVSIBZATIU-UHFFFAOYSA-N
MW257.98 g/mol
LogP2.71
Rot. Bonds

About 1,2,3-trifluoro-4-iodobenzene

1,2,3-trifluoro-4-iodobenzene (PubChem CID 2779253) has the molecular formula C6H2F3I and a molecular weight of 257.98 g/mol. Its IUPAC name is 1,2,3-trifluoro-4-iodobenzene.

Molecular Properties

Compound Name1,2,3-trifluoro-4-iodobenzene
PubChem CID2779253
Molecular FormulaC6H2F3I
Molecular Weight257.98 g/mol
Exact Mass257.92
IUPAC Name1,2,3-trifluoro-4-iodobenzene
SMILESFc1ccc(I)c(F)c1F
InChIInChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChIKeyYDSUNVSIBZATIU-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.98
LogP ≤ 52.71
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 1,2,3-trifluoro-4-iodobenzene?
The IUPAC name of 1,2,3-trifluoro-4-iodobenzene (CID 2779253) is 1,2,3-trifluoro-4-iodobenzene.
What is the SMILES notation for 1,2,3-trifluoro-4-iodobenzene?
The canonical SMILES for 1,2,3-trifluoro-4-iodobenzene is Fc1ccc(I)c(F)c1F.
What is the InChIKey of 1,2,3-trifluoro-4-iodobenzene?
The InChIKey is YDSUNVSIBZATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H.
What are the key properties of 1,2,3-trifluoro-4-iodobenzene?
1,2,3-trifluoro-4-iodobenzene has a molecular weight of 257.98 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-4-iodobenzene is sourced from PubChem (CID 2779253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).