4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol

C12H6Cl2F2O3S — CID 168866195

IUPAC4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol
SMILESO=S(c1cc(Cl)c(F)cc1O)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C12H6Cl2F2O3S/c13-5-1-11(9(17)3-7(5)15)20(19)12-2-6(14)8(16)4-10(12)18/h1-4,17-18H
InChIKeyKASRAKAPJNDUBN-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.85
Rot. Bonds2

About 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol

4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol (PubChem CID 168866195) has the molecular formula C12H6Cl2F2O3S and a molecular weight of 339.15 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol
PubChem CID168866195
Molecular FormulaC12H6Cl2F2O3S
Molecular Weight339.15 g/mol
Exact Mass337.94
IUPAC Name4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol
SMILESO=S(c1cc(Cl)c(F)cc1O)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C12H6Cl2F2O3S/c13-5-1-11(9(17)3-7(5)15)20(19)12-2-6(14)8(16)4-10(12)18/h1-4,17-18H
InChIKeyKASRAKAPJNDUBN-UHFFFAOYSA-N
XLogP3.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol?
The IUPAC name of 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol (CID 168866195) is 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol.
What is the SMILES notation for 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol?
The canonical SMILES for 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol is O=S(c1cc(Cl)c(F)cc1O)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol?
The InChIKey is KASRAKAPJNDUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O3S/c13-5-1-11(9(17)3-7(5)15)20(19)12-2-6(14)8(16)4-10(12)18/h1-4,17-18H.
What are the key properties of 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol?
4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol has a molecular weight of 339.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-4-fluoro-2-hydroxyphenyl)sulfinyl-5-fluorophenol is sourced from PubChem (CID 168866195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).