3-ethyl-1-fluoro-2,4-diiodobenzene

C8H7FI2 — CID 118802109

IUPAC3-ethyl-1-fluoro-2,4-diiodobenzene
SMILESCCc1c(I)ccc(F)c1I
InChIInChI=1S/C8H7FI2/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4H,2H2,1H3
InChIKeyJCACGPUXRZCADS-UHFFFAOYSA-N
MW375.95 g/mol
LogP3.60
Rot. Bonds1

About 3-ethyl-1-fluoro-2,4-diiodobenzene

3-ethyl-1-fluoro-2,4-diiodobenzene (PubChem CID 118802109) has the molecular formula C8H7FI2 and a molecular weight of 375.95 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-2,4-diiodobenzene.

Molecular Properties

Compound Name3-ethyl-1-fluoro-2,4-diiodobenzene
PubChem CID118802109
Molecular FormulaC8H7FI2
Molecular Weight375.95 g/mol
Exact Mass375.86
IUPAC Name3-ethyl-1-fluoro-2,4-diiodobenzene
SMILESCCc1c(I)ccc(F)c1I
InChIInChI=1S/C8H7FI2/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4H,2H2,1H3
InChIKeyJCACGPUXRZCADS-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-fluoro-2,4-diiodobenzene?
The IUPAC name of 3-ethyl-1-fluoro-2,4-diiodobenzene (CID 118802109) is 3-ethyl-1-fluoro-2,4-diiodobenzene.
What is the SMILES notation for 3-ethyl-1-fluoro-2,4-diiodobenzene?
The canonical SMILES for 3-ethyl-1-fluoro-2,4-diiodobenzene is CCc1c(I)ccc(F)c1I.
What is the InChIKey of 3-ethyl-1-fluoro-2,4-diiodobenzene?
The InChIKey is JCACGPUXRZCADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FI2/c1-2-5-7(10)4-3-6(9)8(5)11/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-1-fluoro-2,4-diiodobenzene?
3-ethyl-1-fluoro-2,4-diiodobenzene has a molecular weight of 375.95 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-2,4-diiodobenzene is sourced from PubChem (CID 118802109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).