4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene

C15H11F2I3O2 — CID 129132935

IUPAC4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
SMILESFc1ccc(OCC(I)COc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C15H11F2I3O2/c16-9-1-3-14(12(19)5-9)21-7-11(18)8-22-15-4-2-10(17)6-13(15)20/h1-6,11H,7-8H2
InChIKeyFPIMFVUPZRIKLS-UHFFFAOYSA-N
MW641.96 g/mol
LogP5.44
Rot. Bonds6

About 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene

4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene (PubChem CID 129132935) has the molecular formula C15H11F2I3O2 and a molecular weight of 641.96 g/mol. Its IUPAC name is 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene.

Molecular Properties

Compound Name4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
PubChem CID129132935
Molecular FormulaC15H11F2I3O2
Molecular Weight641.96 g/mol
Exact Mass641.79
IUPAC Name4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene
SMILESFc1ccc(OCC(I)COc2ccc(F)cc2I)c(I)c1
InChIInChI=1S/C15H11F2I3O2/c16-9-1-3-14(12(19)5-9)21-7-11(18)8-22-15-4-2-10(17)6-13(15)20/h1-6,11H,7-8H2
InChIKeyFPIMFVUPZRIKLS-UHFFFAOYSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.96
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 155601706
CID 155601706
4-fluoro-2-iodo-1-(2,2,3,3-tetrafluoropropoxy)benzene
CID 175686923
1-[2-(4-fluoro-2-iodophenoxy)ethoxy]-2-iodo-4-methylbenzene
CID 130444426
1-(4-bromobutoxy)-4-fluoro-2-iodobenzene
CID 156504900
5-fluoro-2-[3-(4-fluoro-2-iodophenoxy)propoxy]-1,3-dimethylbenzene
CID 154029735
1-(2,4-diiodophenoxy)butan-2-ol
CID 22313365
1-(4-fluoro-2-iodoanilino)-3-(2-methylphenoxy)propan-2-ol
CID 79759629
1-(2-chloropropoxy)-2-iodobenzene
CID 135222476
(4-fluoro-2-iodophenyl) trifluoromethanesulfonate
CID 135038128
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene?
The IUPAC name of 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene (CID 129132935) is 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene.
What is the SMILES notation for 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene?
The canonical SMILES for 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene is Fc1ccc(OCC(I)COc2ccc(F)cc2I)c(I)c1.
What is the InChIKey of 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene?
The InChIKey is FPIMFVUPZRIKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2I3O2/c16-9-1-3-14(12(19)5-9)21-7-11(18)8-22-15-4-2-10(17)6-13(15)20/h1-6,11H,7-8H2.
What are the key properties of 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene?
4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene has a molecular weight of 641.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-iodopropoxy]-2-iodobenzene is sourced from PubChem (CID 129132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).