2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum

C6HF5O3STa — CID 158411832

IUPAC2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum
SMILESO=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[Ta]
InChIInChI=1S/C6HF5O3S.Ta/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);
InChIKeyGZKINRSRAXNYAT-UHFFFAOYSA-N
MW429.08 g/mol
LogP1.63
Rot. Bonds1

About 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum

2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum (PubChem CID 158411832) has the molecular formula C6HF5O3STa and a molecular weight of 429.08 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum
PubChem CID158411832
Molecular FormulaC6HF5O3STa
Molecular Weight429.08 g/mol
Exact Mass428.90
IUPAC Name2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum
SMILESO=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[Ta]
InChIInChI=1S/C6HF5O3S.Ta/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);
InChIKeyGZKINRSRAXNYAT-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.08
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum (CID 158411832) is 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum is O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.[Ta].
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum?
The InChIKey is GZKINRSRAXNYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O3S.Ta/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;/h(H,12,13,14);.
What are the key properties of 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum?
2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum has a molecular weight of 429.08 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenesulfonic acid;tantalum is sourced from PubChem (CID 158411832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).