2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene

C15H10F4I2O2 — CID 58516556

IUPAC2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene
SMILESFc1cc(F)c(OCCCOc2c(F)cc(F)cc2I)c(I)c1
InChIInChI=1S/C15H10F4I2O2/c16-8-4-10(18)14(12(20)6-8)22-2-1-3-23-15-11(19)5-9(17)7-13(15)21/h4-7H,1-3H2
InChIKeyAVACKPMKMKQZIL-UHFFFAOYSA-N
MW552.04 g/mol
LogP5.30
Rot. Bonds6

About 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene

2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene (PubChem CID 58516556) has the molecular formula C15H10F4I2O2 and a molecular weight of 552.04 g/mol. Its IUPAC name is 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene.

Molecular Properties

Compound Name2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene
PubChem CID58516556
Molecular FormulaC15H10F4I2O2
Molecular Weight552.04 g/mol
Exact Mass551.87
IUPAC Name2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene
SMILESFc1cc(F)c(OCCCOc2c(F)cc(F)cc2I)c(I)c1
InChIInChI=1S/C15H10F4I2O2/c16-8-4-10(18)14(12(20)6-8)22-2-1-3-23-15-11(19)5-9(17)7-13(15)21/h4-7H,1-3H2
InChIKeyAVACKPMKMKQZIL-UHFFFAOYSA-N
XLogP5.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.04
LogP ≤ 55.30
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'}

Analyze 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene?
The IUPAC name of 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene (CID 58516556) is 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene.
What is the SMILES notation for 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene?
The canonical SMILES for 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene is Fc1cc(F)c(OCCCOc2c(F)cc(F)cc2I)c(I)c1.
What is the InChIKey of 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene?
The InChIKey is AVACKPMKMKQZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4I2O2/c16-8-4-10(18)14(12(20)6-8)22-2-1-3-23-15-11(19)5-9(17)7-13(15)21/h4-7H,1-3H2.
What are the key properties of 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene?
2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene has a molecular weight of 552.04 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluoro-6-iodophenoxy)propoxy]-1,5-difluoro-3-iodobenzene is sourced from PubChem (CID 58516556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).