4-chloro-1-fluoro-2-methylsulfonylbenzene

C7H6ClFO2S — CID 68877409

IUPAC4-chloro-1-fluoro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyUIHKGVOZHIQEGC-UHFFFAOYSA-N
MW208.64 g/mol
LogP1.88
Rot. Bonds1

About 4-chloro-1-fluoro-2-methylsulfonylbenzene

4-chloro-1-fluoro-2-methylsulfonylbenzene (PubChem CID 68877409) has the molecular formula C7H6ClFO2S and a molecular weight of 208.64 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-methylsulfonylbenzene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-methylsulfonylbenzene
PubChem CID68877409
Molecular FormulaC7H6ClFO2S
Molecular Weight208.64 g/mol
Exact Mass207.98
IUPAC Name4-chloro-1-fluoro-2-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKeyUIHKGVOZHIQEGC-UHFFFAOYSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-methylsulfonylbenzene?
The IUPAC name of 4-chloro-1-fluoro-2-methylsulfonylbenzene (CID 68877409) is 4-chloro-1-fluoro-2-methylsulfonylbenzene.
What is the SMILES notation for 4-chloro-1-fluoro-2-methylsulfonylbenzene?
The canonical SMILES for 4-chloro-1-fluoro-2-methylsulfonylbenzene is CS(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-1-fluoro-2-methylsulfonylbenzene?
The InChIKey is UIHKGVOZHIQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,1H3.
What are the key properties of 4-chloro-1-fluoro-2-methylsulfonylbenzene?
4-chloro-1-fluoro-2-methylsulfonylbenzene has a molecular weight of 208.64 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-methylsulfonylbenzene is sourced from PubChem (CID 68877409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).