2,4-diethoxy-1,3-difluoro-5-iodobenzene

C10H11F2IO2 — CID 50998226

IUPAC2,4-diethoxy-1,3-difluoro-5-iodobenzene
SMILESCCOc1c(F)cc(I)c(OCC)c1F
InChIInChI=1S/C10H11F2IO2/c1-3-14-9-6(11)5-7(13)10(8(9)12)15-4-2/h5H,3-4H2,1-2H3
InChIKeyDJIZVWOCNLGXPK-UHFFFAOYSA-N
MW328.10 g/mol
LogP3.37
Rot. Bonds4

About 2,4-diethoxy-1,3-difluoro-5-iodobenzene

2,4-diethoxy-1,3-difluoro-5-iodobenzene (PubChem CID 50998226) has the molecular formula C10H11F2IO2 and a molecular weight of 328.10 g/mol. Its IUPAC name is 2,4-diethoxy-1,3-difluoro-5-iodobenzene.

Molecular Properties

Compound Name2,4-diethoxy-1,3-difluoro-5-iodobenzene
PubChem CID50998226
Molecular FormulaC10H11F2IO2
Molecular Weight328.10 g/mol
Exact Mass327.98
IUPAC Name2,4-diethoxy-1,3-difluoro-5-iodobenzene
SMILESCCOc1c(F)cc(I)c(OCC)c1F
InChIInChI=1S/C10H11F2IO2/c1-3-14-9-6(11)5-7(13)10(8(9)12)15-4-2/h5H,3-4H2,1-2H3
InChIKeyDJIZVWOCNLGXPK-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-1,3-difluoro-5-iodobenzene?
The IUPAC name of 2,4-diethoxy-1,3-difluoro-5-iodobenzene (CID 50998226) is 2,4-diethoxy-1,3-difluoro-5-iodobenzene.
What is the SMILES notation for 2,4-diethoxy-1,3-difluoro-5-iodobenzene?
The canonical SMILES for 2,4-diethoxy-1,3-difluoro-5-iodobenzene is CCOc1c(F)cc(I)c(OCC)c1F.
What is the InChIKey of 2,4-diethoxy-1,3-difluoro-5-iodobenzene?
The InChIKey is DJIZVWOCNLGXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2IO2/c1-3-14-9-6(11)5-7(13)10(8(9)12)15-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-1,3-difluoro-5-iodobenzene?
2,4-diethoxy-1,3-difluoro-5-iodobenzene has a molecular weight of 328.10 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-1,3-difluoro-5-iodobenzene is sourced from PubChem (CID 50998226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).