4-bromo-2-fluorobenzenesulfonyl fluoride

C6H3BrF2O2S — CID 86725081

IUPAC4-bromo-2-fluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1F
InChIInChI=1S/C6H3BrF2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKeyZZZTWJUPHPODPU-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.25
Rot. Bonds1

About 4-bromo-2-fluorobenzenesulfonyl fluoride

4-bromo-2-fluorobenzenesulfonyl fluoride (PubChem CID 86725081) has the molecular formula C6H3BrF2O2S and a molecular weight of 257.06 g/mol. Its IUPAC name is 4-bromo-2-fluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-bromo-2-fluorobenzenesulfonyl fluoride
PubChem CID86725081
Molecular FormulaC6H3BrF2O2S
Molecular Weight257.06 g/mol
Exact Mass255.90
IUPAC Name4-bromo-2-fluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Br)cc1F
InChIInChI=1S/C6H3BrF2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKeyZZZTWJUPHPODPU-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluorobenzenesulfonyl fluoride?
The IUPAC name of 4-bromo-2-fluorobenzenesulfonyl fluoride (CID 86725081) is 4-bromo-2-fluorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-bromo-2-fluorobenzenesulfonyl fluoride?
The canonical SMILES for 4-bromo-2-fluorobenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluorobenzenesulfonyl fluoride?
The InChIKey is ZZZTWJUPHPODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H.
What are the key properties of 4-bromo-2-fluorobenzenesulfonyl fluoride?
4-bromo-2-fluorobenzenesulfonyl fluoride has a molecular weight of 257.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluorobenzenesulfonyl fluoride is sourced from PubChem (CID 86725081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).