1-ethoxy-2-fluoro-4-iodobenzene

C8H8FIO — CID 50998221

IUPAC1-ethoxy-2-fluoro-4-iodobenzene
SMILESCCOc1ccc(I)cc1F
InChIInChI=1S/C8H8FIO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2H2,1H3
InChIKeyZVEWRJKZCLDJMI-UHFFFAOYSA-N
MW266.05 g/mol
LogP2.83
Rot. Bonds2

About 1-ethoxy-2-fluoro-4-iodobenzene

1-ethoxy-2-fluoro-4-iodobenzene (PubChem CID 50998221) has the molecular formula C8H8FIO and a molecular weight of 266.05 g/mol. Its IUPAC name is 1-ethoxy-2-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1-ethoxy-2-fluoro-4-iodobenzene
PubChem CID50998221
Molecular FormulaC8H8FIO
Molecular Weight266.05 g/mol
Exact Mass265.96
IUPAC Name1-ethoxy-2-fluoro-4-iodobenzene
SMILESCCOc1ccc(I)cc1F
InChIInChI=1S/C8H8FIO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2H2,1H3
InChIKeyZVEWRJKZCLDJMI-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
1-ethoxy-2-fluoro-4-prop-1-enylbenzene
CID 58719170
2-(4-ethoxy-3-fluorophenoxy)ethanamine
CID 96670711
4-(1,1-difluoropropyl)-1-ethoxy-2-fluorobenzene
CID 116841263
4-ethoxy-3-fluorobenzenesulfonamide
CID 43164444
3-[(4-ethoxy-3-fluorophenyl)methyl]azetidine
CID 82283901

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-fluoro-4-iodobenzene?
The IUPAC name of 1-ethoxy-2-fluoro-4-iodobenzene (CID 50998221) is 1-ethoxy-2-fluoro-4-iodobenzene.
What is the SMILES notation for 1-ethoxy-2-fluoro-4-iodobenzene?
The canonical SMILES for 1-ethoxy-2-fluoro-4-iodobenzene is CCOc1ccc(I)cc1F.
What is the InChIKey of 1-ethoxy-2-fluoro-4-iodobenzene?
The InChIKey is ZVEWRJKZCLDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2H2,1H3.
What are the key properties of 1-ethoxy-2-fluoro-4-iodobenzene?
1-ethoxy-2-fluoro-4-iodobenzene has a molecular weight of 266.05 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-fluoro-4-iodobenzene is sourced from PubChem (CID 50998221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).