tris(2,3,4,5,6-pentafluorophenyl)thallane

C18F15Tl — CID 11377526

IUPACtris(2,3,4,5,6-pentafluorophenyl)thallane
SMILESFc1c(F)c(F)c([Tl](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Tl/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyRTZJAPBZGZIPLP-UHFFFAOYSA-N
MW705.55 g/mol
LogP4.29
Rot. Bonds3

About tris(2,3,4,5,6-pentafluorophenyl)thallane

tris(2,3,4,5,6-pentafluorophenyl)thallane (PubChem CID 11377526) has the molecular formula C18F15Tl and a molecular weight of 705.55 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)thallane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)thallane
PubChem CID11377526
Molecular FormulaC18F15Tl
Molecular Weight705.55 g/mol
Exact Mass705.95
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)thallane
SMILESFc1c(F)c(F)c([Tl](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/3C6F5.Tl/c3*7-2-1-3(8)5(10)6(11)4(2)9;
InChIKeyRTZJAPBZGZIPLP-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500705.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)thallane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)thallane (CID 11377526) is tris(2,3,4,5,6-pentafluorophenyl)thallane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)thallane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)thallane is Fc1c(F)c(F)c([Tl](c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)thallane?
The InChIKey is RTZJAPBZGZIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6F5.Tl/c3*7-2-1-3(8)5(10)6(11)4(2)9;.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)thallane?
tris(2,3,4,5,6-pentafluorophenyl)thallane has a molecular weight of 705.55 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)thallane is sourced from PubChem (CID 11377526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).