4-fluorosulfonyloxybenzenesulfonyl fluoride

C6H4F2O5S2 — CID 13152767

IUPAC4-fluorosulfonyloxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)Oc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C6H4F2O5S2/c7-14(9,10)6-3-1-5(2-4-6)13-15(8,11)12/h1-4H
InChIKeyQCMSGLIRXNOMCY-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.94
Rot. Bonds3

About 4-fluorosulfonyloxybenzenesulfonyl fluoride

4-fluorosulfonyloxybenzenesulfonyl fluoride (PubChem CID 13152767) has the molecular formula C6H4F2O5S2 and a molecular weight of 258.22 g/mol. Its IUPAC name is 4-fluorosulfonyloxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-fluorosulfonyloxybenzenesulfonyl fluoride
PubChem CID13152767
Molecular FormulaC6H4F2O5S2
Molecular Weight258.22 g/mol
Exact Mass257.95
IUPAC Name4-fluorosulfonyloxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)Oc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C6H4F2O5S2/c7-14(9,10)6-3-1-5(2-4-6)13-15(8,11)12/h1-4H
InChIKeyQCMSGLIRXNOMCY-UHFFFAOYSA-N
XLogP0.94
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluorosulfonyloxybenzenesulfonyl fluoride?
The IUPAC name of 4-fluorosulfonyloxybenzenesulfonyl fluoride (CID 13152767) is 4-fluorosulfonyloxybenzenesulfonyl fluoride.
What is the SMILES notation for 4-fluorosulfonyloxybenzenesulfonyl fluoride?
The canonical SMILES for 4-fluorosulfonyloxybenzenesulfonyl fluoride is O=S(=O)(F)Oc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-fluorosulfonyloxybenzenesulfonyl fluoride?
The InChIKey is QCMSGLIRXNOMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O5S2/c7-14(9,10)6-3-1-5(2-4-6)13-15(8,11)12/h1-4H.
What are the key properties of 4-fluorosulfonyloxybenzenesulfonyl fluoride?
4-fluorosulfonyloxybenzenesulfonyl fluoride has a molecular weight of 258.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorosulfonyloxybenzenesulfonyl fluoride is sourced from PubChem (CID 13152767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).