2,3,4,5,6-pentafluorobenzenesulfinyl chloride

C6ClF5OS — CID 12530524

IUPAC2,3,4,5,6-pentafluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6ClF5OS/c7-14(13)6-4(11)2(9)1(8)3(10)5(6)12
InChIKeyLOWSELNESOPVTM-UHFFFAOYSA-N
MW250.57 g/mol
LogP2.64
Rot. Bonds1

About 2,3,4,5,6-pentafluorobenzenesulfinyl chloride

2,3,4,5,6-pentafluorobenzenesulfinyl chloride (PubChem CID 12530524) has the molecular formula C6ClF5OS and a molecular weight of 250.57 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluorobenzenesulfinyl chloride.

Molecular Properties

Compound Name2,3,4,5,6-pentafluorobenzenesulfinyl chloride
PubChem CID12530524
Molecular FormulaC6ClF5OS
Molecular Weight250.57 g/mol
Exact Mass249.93
IUPAC Name2,3,4,5,6-pentafluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6ClF5OS/c7-14(13)6-4(11)2(9)1(8)3(10)5(6)12
InChIKeyLOWSELNESOPVTM-UHFFFAOYSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-pentafluorobenzenesulfinyl chloride?
The IUPAC name of 2,3,4,5,6-pentafluorobenzenesulfinyl chloride (CID 12530524) is 2,3,4,5,6-pentafluorobenzenesulfinyl chloride.
What is the SMILES notation for 2,3,4,5,6-pentafluorobenzenesulfinyl chloride?
The canonical SMILES for 2,3,4,5,6-pentafluorobenzenesulfinyl chloride is O=S(Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluorobenzenesulfinyl chloride?
The InChIKey is LOWSELNESOPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF5OS/c7-14(13)6-4(11)2(9)1(8)3(10)5(6)12.
What are the key properties of 2,3,4,5,6-pentafluorobenzenesulfinyl chloride?
2,3,4,5,6-pentafluorobenzenesulfinyl chloride has a molecular weight of 250.57 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluorobenzenesulfinyl chloride is sourced from PubChem (CID 12530524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).