2,4-difluoro-3,6-diiodophenol

C6H2F2I2O — CID 156656919

IUPAC2,4-difluoro-3,6-diiodophenol
SMILESOc1c(I)cc(F)c(I)c1F
InChIInChI=1S/C6H2F2I2O/c7-2-1-3(9)6(11)4(8)5(2)10/h1,11H
InChIKeyNKZILEFRBUHVBK-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.88
Rot. Bonds

About 2,4-difluoro-3,6-diiodophenol

2,4-difluoro-3,6-diiodophenol (PubChem CID 156656919) has the molecular formula C6H2F2I2O and a molecular weight of 381.89 g/mol. Its IUPAC name is 2,4-difluoro-3,6-diiodophenol.

Molecular Properties

Compound Name2,4-difluoro-3,6-diiodophenol
PubChem CID156656919
Molecular FormulaC6H2F2I2O
Molecular Weight381.89 g/mol
Exact Mass381.82
IUPAC Name2,4-difluoro-3,6-diiodophenol
SMILESOc1c(I)cc(F)c(I)c1F
InChIInChI=1S/C6H2F2I2O/c7-2-1-3(9)6(11)4(8)5(2)10/h1,11H
InChIKeyNKZILEFRBUHVBK-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3,6-diiodophenol?
The IUPAC name of 2,4-difluoro-3,6-diiodophenol (CID 156656919) is 2,4-difluoro-3,6-diiodophenol.
What is the SMILES notation for 2,4-difluoro-3,6-diiodophenol?
The canonical SMILES for 2,4-difluoro-3,6-diiodophenol is Oc1c(I)cc(F)c(I)c1F.
What is the InChIKey of 2,4-difluoro-3,6-diiodophenol?
The InChIKey is NKZILEFRBUHVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2I2O/c7-2-1-3(9)6(11)4(8)5(2)10/h1,11H.
What are the key properties of 2,4-difluoro-3,6-diiodophenol?
2,4-difluoro-3,6-diiodophenol has a molecular weight of 381.89 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3,6-diiodophenol is sourced from PubChem (CID 156656919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).