4-fluorobenzenesulfinyl chloride

C6H4ClFOS — CID 12669616

IUPAC4-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(F)cc1
InChIInChI=1S/C6H4ClFOS/c7-10(9)6-3-1-5(8)2-4-6/h1-4H
InChIKeyBJWMYGBNKQPQLX-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.09
Rot. Bonds1

About 4-fluorobenzenesulfinyl chloride

4-fluorobenzenesulfinyl chloride (PubChem CID 12669616) has the molecular formula C6H4ClFOS and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-fluorobenzenesulfinyl chloride.

Molecular Properties

Compound Name4-fluorobenzenesulfinyl chloride
PubChem CID12669616
Molecular FormulaC6H4ClFOS
Molecular Weight178.62 g/mol
Exact Mass177.97
IUPAC Name4-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1ccc(F)cc1
InChIInChI=1S/C6H4ClFOS/c7-10(9)6-3-1-5(8)2-4-6/h1-4H
InChIKeyBJWMYGBNKQPQLX-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzenesulfinyl chloride?
The IUPAC name of 4-fluorobenzenesulfinyl chloride (CID 12669616) is 4-fluorobenzenesulfinyl chloride.
What is the SMILES notation for 4-fluorobenzenesulfinyl chloride?
The canonical SMILES for 4-fluorobenzenesulfinyl chloride is O=S(Cl)c1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzenesulfinyl chloride?
The InChIKey is BJWMYGBNKQPQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFOS/c7-10(9)6-3-1-5(8)2-4-6/h1-4H.
What are the key properties of 4-fluorobenzenesulfinyl chloride?
4-fluorobenzenesulfinyl chloride has a molecular weight of 178.62 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzenesulfinyl chloride is sourced from PubChem (CID 12669616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).