2-chloro-3-fluorobenzenesulfinyl chloride

C6H3Cl2FOS — CID 144889257

IUPAC2-chloro-3-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C6H3Cl2FOS/c7-6-4(9)2-1-3-5(6)11(8)10/h1-3H
InChIKeyOHLRPCXAXJILRC-UHFFFAOYSA-N
MW213.06 g/mol
LogP2.74
Rot. Bonds1

About 2-chloro-3-fluorobenzenesulfinyl chloride

2-chloro-3-fluorobenzenesulfinyl chloride (PubChem CID 144889257) has the molecular formula C6H3Cl2FOS and a molecular weight of 213.06 g/mol. Its IUPAC name is 2-chloro-3-fluorobenzenesulfinyl chloride.

Molecular Properties

Compound Name2-chloro-3-fluorobenzenesulfinyl chloride
PubChem CID144889257
Molecular FormulaC6H3Cl2FOS
Molecular Weight213.06 g/mol
Exact Mass211.93
IUPAC Name2-chloro-3-fluorobenzenesulfinyl chloride
SMILESO=S(Cl)c1cccc(F)c1Cl
InChIInChI=1S/C6H3Cl2FOS/c7-6-4(9)2-1-3-5(6)11(8)10/h1-3H
InChIKeyOHLRPCXAXJILRC-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluorobenzenesulfinyl chloride?
The IUPAC name of 2-chloro-3-fluorobenzenesulfinyl chloride (CID 144889257) is 2-chloro-3-fluorobenzenesulfinyl chloride.
What is the SMILES notation for 2-chloro-3-fluorobenzenesulfinyl chloride?
The canonical SMILES for 2-chloro-3-fluorobenzenesulfinyl chloride is O=S(Cl)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluorobenzenesulfinyl chloride?
The InChIKey is OHLRPCXAXJILRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2FOS/c7-6-4(9)2-1-3-5(6)11(8)10/h1-3H.
What are the key properties of 2-chloro-3-fluorobenzenesulfinyl chloride?
2-chloro-3-fluorobenzenesulfinyl chloride has a molecular weight of 213.06 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluorobenzenesulfinyl chloride is sourced from PubChem (CID 144889257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).