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

C6HF4IO — CID 15064542

IUPAC2,3,5,6-tetrafluoro-4-iodophenol
SMILESOc1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C6HF4IO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H
InChIKeyRNCXHJYIEFKIJW-UHFFFAOYSA-N
MW291.97 g/mol
LogP2.55
Rot. Bonds

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

2,3,5,6-tetrafluoro-4-iodophenol (PubChem CID 15064542) has the molecular formula C6HF4IO and a molecular weight of 291.97 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-iodophenol.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-iodophenol
PubChem CID15064542
Molecular FormulaC6HF4IO
Molecular Weight291.97 g/mol
Exact Mass291.90
IUPAC Name2,3,5,6-tetrafluoro-4-iodophenol
SMILESOc1c(F)c(F)c(I)c(F)c1F
InChIInChI=1S/C6HF4IO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H
InChIKeyRNCXHJYIEFKIJW-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 52.55
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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Related Compounds

Pentafluorophenol
CID 13041
2,3,5,6-Tetrafluorophenol
CID 69858
2,3,5,6-Tetrafluorohydroquinone
CID 69870
Tetrafluorobenzene-1,3-diol
CID 602725
Tetrafluorobenzene-1,2-diol
CID 2778870
2-Fluoro-6-iodophenol
CID 22237496
3,5-Difluoro-4-iodophenol
CID 26599212
2,6-Difluoro-4-iodophenol
CID 45790937
2,3,4,6-Tetrafluorophenol
CID 3854866
2,3,4,5-Tetrafluorophenol
CID 15631663
Phenol, 2,3,4,5,6-pentafluoro-, potassium salt (1:1)
CID 23663640
Pentafluorophen(ol-d)
CID 16212660

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-iodophenol?
The IUPAC name of 2,3,5,6-tetrafluoro-4-iodophenol (CID 15064542) is 2,3,5,6-tetrafluoro-4-iodophenol.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-iodophenol?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-iodophenol is Oc1c(F)c(F)c(I)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-iodophenol?
The InChIKey is RNCXHJYIEFKIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF4IO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H.
What are the key properties of 2,3,5,6-tetrafluoro-4-iodophenol?
2,3,5,6-tetrafluoro-4-iodophenol has a molecular weight of 291.97 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-iodophenol is sourced from PubChem (CID 15064542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).