2,3,4,5,6-pentafluorobenzenesulfonyl fluoride

C6F6O2S — CID 11807055

IUPAC2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F6O2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
InChIKeyIIIRAVUZGLMAHO-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.04
Rot. Bonds1

About 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride

2,3,4,5,6-pentafluorobenzenesulfonyl fluoride (PubChem CID 11807055) has the molecular formula C6F6O2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
PubChem CID11807055
Molecular FormulaC6F6O2S
Molecular Weight250.12 g/mol
Exact Mass249.95
IUPAC Name2,3,4,5,6-pentafluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F6O2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9
InChIKeyIIIRAVUZGLMAHO-UHFFFAOYSA-N
XLogP2.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride (CID 11807055) is 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride is O=S(=O)(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride?
The InChIKey is IIIRAVUZGLMAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F6O2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9.
What are the key properties of 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride?
2,3,4,5,6-pentafluorobenzenesulfonyl fluoride has a molecular weight of 250.12 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenesulfonyl fluoride is sourced from PubChem (CID 11807055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).