1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene

C14H12FIO2 — CID 141496951

IUPAC1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
SMILESFc1ccc(OCCOc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12FIO2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyOXLWSLIBIRBHRI-UHFFFAOYSA-N
MW358.15 g/mol
LogP3.89
Rot. Bonds5

About 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene

1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene (PubChem CID 141496951) has the molecular formula C14H12FIO2 and a molecular weight of 358.15 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
PubChem CID141496951
Molecular FormulaC14H12FIO2
Molecular Weight358.15 g/mol
Exact Mass357.99
IUPAC Name1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
SMILESFc1ccc(OCCOc2ccc(I)cc2)cc1
InChIInChI=1S/C14H12FIO2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyOXLWSLIBIRBHRI-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
3-(4-fluorophenoxy)propylazanium
CID 42036216
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
1-iodo-4-(3-phenoxypropoxy)benzene
CID 60665273
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
1-iodo-4-(5,5,5-trifluoropentoxy)benzene
CID 102202371
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
CID 580551
3-[2-(4-iodophenoxy)ethyl]azetidine
CID 107391676
4-[2-(4-iodophenoxy)ethoxy]benzenesulfonic acid
CID 170531267
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene?
The IUPAC name of 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene (CID 141496951) is 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene?
The canonical SMILES for 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene is Fc1ccc(OCCOc2ccc(I)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene?
The InChIKey is OXLWSLIBIRBHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIO2/c15-11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(16)4-8-14/h1-8H,9-10H2.
What are the key properties of 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene?
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene has a molecular weight of 358.15 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene is sourced from PubChem (CID 141496951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).