1-ethenyl-3-fluoro-5-iodobenzene

C8H6FI — CID 168851196

IUPAC1-ethenyl-3-fluoro-5-iodobenzene
SMILESC=Cc1cc(F)cc(I)c1
InChIInChI=1S/C8H6FI/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
InChIKeyHXBPEOYZBRIJPQ-UHFFFAOYSA-N
MW248.04 g/mol
LogP3.07
Rot. Bonds1

About 1-ethenyl-3-fluoro-5-iodobenzene

1-ethenyl-3-fluoro-5-iodobenzene (PubChem CID 168851196) has the molecular formula C8H6FI and a molecular weight of 248.04 g/mol. Its IUPAC name is 1-ethenyl-3-fluoro-5-iodobenzene.

Molecular Properties

Compound Name1-ethenyl-3-fluoro-5-iodobenzene
PubChem CID168851196
Molecular FormulaC8H6FI
Molecular Weight248.04 g/mol
Exact Mass247.95
IUPAC Name1-ethenyl-3-fluoro-5-iodobenzene
SMILESC=Cc1cc(F)cc(I)c1
InChIInChI=1S/C8H6FI/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2
InChIKeyHXBPEOYZBRIJPQ-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.04
LogP ≤ 53.07
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-ethenyl-3-fluoro-5-iodobenzene?
The IUPAC name of 1-ethenyl-3-fluoro-5-iodobenzene (CID 168851196) is 1-ethenyl-3-fluoro-5-iodobenzene.
What is the SMILES notation for 1-ethenyl-3-fluoro-5-iodobenzene?
The canonical SMILES for 1-ethenyl-3-fluoro-5-iodobenzene is C=Cc1cc(F)cc(I)c1.
What is the InChIKey of 1-ethenyl-3-fluoro-5-iodobenzene?
The InChIKey is HXBPEOYZBRIJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FI/c1-2-6-3-7(9)5-8(10)4-6/h2-5H,1H2.
What are the key properties of 1-ethenyl-3-fluoro-5-iodobenzene?
1-ethenyl-3-fluoro-5-iodobenzene has a molecular weight of 248.04 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-fluoro-5-iodobenzene is sourced from PubChem (CID 168851196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).