2,3,4,6-tetrafluoro-5-iodophenolate

C6F4IO- — CID 155760380

IUPAC2,3,4,6-tetrafluoro-5-iodophenolate
SMILES[O-]c1c(F)c(F)c(F)c(I)c1F
InChIInChI=1S/C6HF4IO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H/p-1
InChIKeyBUSQUOVRECCGSG-UHFFFAOYSA-M
MW290.96 g/mol
LogP1.92
Rot. Bonds

About 2,3,4,6-tetrafluoro-5-iodophenolate

2,3,4,6-tetrafluoro-5-iodophenolate (PubChem CID 155760380) has the molecular formula C6F4IO- and a molecular weight of 290.96 g/mol. Its IUPAC name is 2,3,4,6-tetrafluoro-5-iodophenolate.

Molecular Properties

Compound Name2,3,4,6-tetrafluoro-5-iodophenolate
PubChem CID155760380
Molecular FormulaC6F4IO-
Molecular Weight290.96 g/mol
Exact Mass290.89
IUPAC Name2,3,4,6-tetrafluoro-5-iodophenolate
SMILES[O-]c1c(F)c(F)c(F)c(I)c1F
InChIInChI=1S/C6HF4IO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H/p-1
InChIKeyBUSQUOVRECCGSG-UHFFFAOYSA-M
XLogP1.92
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.96
LogP ≤ 51.92
H-Bond Donors ≤ 50
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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Related Compounds

1-bromo-2,3,4,6-tetrafluoro-5-iodobenzene
CID 13027703
bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene
CID 102102069
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
1,2,3,4,5-pentafluoro-6-iodobenzene;phenazine
CID 139175725
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
CID 130427136
phenazine;1,2,3,5-tetrafluoro-4,6-diiodobenzene
CID 139178593
CID 101139091
CID 101139091
1-(bromomethyl)-2,3,4,5-tetrafluoro-6-iodobenzene
CID 166444030
magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide
CID 175079415
4-pyridin-4-ylpyridine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139205206
bis((phenyldiselanyl)benzene);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139179229
sodium 2,3,5,6-tetrafluoro-4-sulfophenolate
CID 100932916

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrafluoro-5-iodophenolate?
The IUPAC name of 2,3,4,6-tetrafluoro-5-iodophenolate (CID 155760380) is 2,3,4,6-tetrafluoro-5-iodophenolate.
What is the SMILES notation for 2,3,4,6-tetrafluoro-5-iodophenolate?
The canonical SMILES for 2,3,4,6-tetrafluoro-5-iodophenolate is [O-]c1c(F)c(F)c(F)c(I)c1F.
What is the InChIKey of 2,3,4,6-tetrafluoro-5-iodophenolate?
The InChIKey is BUSQUOVRECCGSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF4IO/c7-1-2(8)5(11)4(10)6(12)3(1)9/h12H/p-1.
What are the key properties of 2,3,4,6-tetrafluoro-5-iodophenolate?
2,3,4,6-tetrafluoro-5-iodophenolate has a molecular weight of 290.96 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrafluoro-5-iodophenolate is sourced from PubChem (CID 155760380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).