fluoro 2,3,4,5-tetrafluorobenzenesulfonate

C6HF5O3S — CID 54456600

IUPACfluoro 2,3,4,5-tetrafluorobenzenesulfonate
SMILESO=S(=O)(OF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O3S/c7-2-1-3(15(12,13)14-11)5(9)6(10)4(2)8/h1H
InChIKeyWYPWGFNJUQBODJ-UHFFFAOYSA-N
MW248.13 g/mol
LogP1.83
Rot. Bonds2

About fluoro 2,3,4,5-tetrafluorobenzenesulfonate

fluoro 2,3,4,5-tetrafluorobenzenesulfonate (PubChem CID 54456600) has the molecular formula C6HF5O3S and a molecular weight of 248.13 g/mol. Its IUPAC name is fluoro 2,3,4,5-tetrafluorobenzenesulfonate.

Molecular Properties

Compound Namefluoro 2,3,4,5-tetrafluorobenzenesulfonate
PubChem CID54456600
Molecular FormulaC6HF5O3S
Molecular Weight248.13 g/mol
Exact Mass247.96
IUPAC Namefluoro 2,3,4,5-tetrafluorobenzenesulfonate
SMILESO=S(=O)(OF)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O3S/c7-2-1-3(15(12,13)14-11)5(9)6(10)4(2)8/h1H
InChIKeyWYPWGFNJUQBODJ-UHFFFAOYSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 fluoro 2,3,4,5-tetrafluorobenzenesulfonate?
The IUPAC name of fluoro 2,3,4,5-tetrafluorobenzenesulfonate (CID 54456600) is fluoro 2,3,4,5-tetrafluorobenzenesulfonate.
What is the SMILES notation for fluoro 2,3,4,5-tetrafluorobenzenesulfonate?
The canonical SMILES for fluoro 2,3,4,5-tetrafluorobenzenesulfonate is O=S(=O)(OF)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of fluoro 2,3,4,5-tetrafluorobenzenesulfonate?
The InChIKey is WYPWGFNJUQBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5O3S/c7-2-1-3(15(12,13)14-11)5(9)6(10)4(2)8/h1H.
What are the key properties of fluoro 2,3,4,5-tetrafluorobenzenesulfonate?
fluoro 2,3,4,5-tetrafluorobenzenesulfonate has a molecular weight of 248.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,3,4,5-tetrafluorobenzenesulfonate is sourced from PubChem (CID 54456600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).