(2,3,4,5,6-pentafluorophenoxy)thallium

C6F5OTl — CID 16692277

IUPAC(2,3,4,5,6-pentafluorophenoxy)thallium
SMILESFc1c(F)c(F)c(O[Tl])c(F)c1F
InChIInChI=1S/C6HF5O.Tl/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChIKeyUMLRVMKNHVZBFA-UHFFFAOYSA-M
MW387.44 g/mol
LogP1.84
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenoxy)thallium

(2,3,4,5,6-pentafluorophenoxy)thallium (PubChem CID 16692277) has the molecular formula C6F5OTl and a molecular weight of 387.44 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenoxy)thallium.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenoxy)thallium
PubChem CID16692277
Molecular FormulaC6F5OTl
Molecular Weight387.44 g/mol
Exact Mass387.96
IUPAC Name(2,3,4,5,6-pentafluorophenoxy)thallium
SMILESFc1c(F)c(F)c(O[Tl])c(F)c1F
InChIInChI=1S/C6HF5O.Tl/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChIKeyUMLRVMKNHVZBFA-UHFFFAOYSA-M
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.84
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'}

Analyze (2,3,4,5,6-pentafluorophenoxy)thallium 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 (2,3,4,5,6-pentafluorophenoxy)thallium?
The IUPAC name of (2,3,4,5,6-pentafluorophenoxy)thallium (CID 16692277) is (2,3,4,5,6-pentafluorophenoxy)thallium.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenoxy)thallium?
The canonical SMILES for (2,3,4,5,6-pentafluorophenoxy)thallium is Fc1c(F)c(F)c(O[Tl])c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenoxy)thallium?
The InChIKey is UMLRVMKNHVZBFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF5O.Tl/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1.
What are the key properties of (2,3,4,5,6-pentafluorophenoxy)thallium?
(2,3,4,5,6-pentafluorophenoxy)thallium has a molecular weight of 387.44 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenoxy)thallium is sourced from PubChem (CID 16692277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).