oxothallanyl 2,2,2-trifluoroacetate

C2F3O3Tl — CID 141105669

IUPACoxothallanyl 2,2,2-trifluoroacetate
SMILESO=[Tl]OC(=O)C(F)(F)F
InChIInChI=1S/C2HF3O2.O.Tl/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;;+1/p-1
InChIKeyCHXSBCVPRAHQGX-UHFFFAOYSA-M
MW333.40 g/mol
LogP0.06
Rot. Bonds1

About oxothallanyl 2,2,2-trifluoroacetate

oxothallanyl 2,2,2-trifluoroacetate (PubChem CID 141105669) has the molecular formula C2F3O3Tl and a molecular weight of 333.40 g/mol. Its IUPAC name is oxothallanyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameoxothallanyl 2,2,2-trifluoroacetate
PubChem CID141105669
Molecular FormulaC2F3O3Tl
Molecular Weight333.40 g/mol
Exact Mass333.95
IUPAC Nameoxothallanyl 2,2,2-trifluoroacetate
SMILESO=[Tl]OC(=O)C(F)(F)F
InChIInChI=1S/C2HF3O2.O.Tl/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;;+1/p-1
InChIKeyCHXSBCVPRAHQGX-UHFFFAOYSA-M
XLogP0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxothallanyl 2,2,2-trifluoroacetate?
The IUPAC name of oxothallanyl 2,2,2-trifluoroacetate (CID 141105669) is oxothallanyl 2,2,2-trifluoroacetate.
What is the SMILES notation for oxothallanyl 2,2,2-trifluoroacetate?
The canonical SMILES for oxothallanyl 2,2,2-trifluoroacetate is O=[Tl]OC(=O)C(F)(F)F.
What is the InChIKey of oxothallanyl 2,2,2-trifluoroacetate?
The InChIKey is CHXSBCVPRAHQGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.O.Tl/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;;+1/p-1.
What are the key properties of oxothallanyl 2,2,2-trifluoroacetate?
oxothallanyl 2,2,2-trifluoroacetate has a molecular weight of 333.40 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxothallanyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 141105669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).