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

C8H7FI2O — CID 118852860

IUPAC2-ethoxy-3-fluoro-1,4-diiodobenzene
SMILESCCOc1c(I)ccc(I)c1F
InChIInChI=1S/C8H7FI2O/c1-2-12-8-6(11)4-3-5(10)7(8)9/h3-4H,2H2,1H3
InChIKeyWTDOMKXMNPYULF-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.43
Rot. Bonds2

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

2-ethoxy-3-fluoro-1,4-diiodobenzene (PubChem CID 118852860) has the molecular formula C8H7FI2O and a molecular weight of 391.95 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-1,4-diiodobenzene.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-1,4-diiodobenzene
PubChem CID118852860
Molecular FormulaC8H7FI2O
Molecular Weight391.95 g/mol
Exact Mass391.86
IUPAC Name2-ethoxy-3-fluoro-1,4-diiodobenzene
SMILESCCOc1c(I)ccc(I)c1F
InChIInChI=1S/C8H7FI2O/c1-2-12-8-6(11)4-3-5(10)7(8)9/h3-4H,2H2,1H3
InChIKeyWTDOMKXMNPYULF-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-ethoxy-3-fluoro-1,4-diiodobenzene?
The IUPAC name of 2-ethoxy-3-fluoro-1,4-diiodobenzene (CID 118852860) is 2-ethoxy-3-fluoro-1,4-diiodobenzene.
What is the SMILES notation for 2-ethoxy-3-fluoro-1,4-diiodobenzene?
The canonical SMILES for 2-ethoxy-3-fluoro-1,4-diiodobenzene is CCOc1c(I)ccc(I)c1F.
What is the InChIKey of 2-ethoxy-3-fluoro-1,4-diiodobenzene?
The InChIKey is WTDOMKXMNPYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FI2O/c1-2-12-8-6(11)4-3-5(10)7(8)9/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-3-fluoro-1,4-diiodobenzene?
2-ethoxy-3-fluoro-1,4-diiodobenzene has a molecular weight of 391.95 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-1,4-diiodobenzene is sourced from PubChem (CID 118852860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).