2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol

C12H6Cl2F2O2S — CID 155391780

IUPAC2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol
SMILESOc1c(Cl)cc(F)cc1Sc1cc(F)cc(Cl)c1O
InChIInChI=1S/C12H6Cl2F2O2S/c13-7-1-5(15)3-9(11(7)17)19-10-4-6(16)2-8(14)12(10)18/h1-4,17-18H
InChIKeyZZVGJHVGTZKKCZ-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.83
Rot. Bonds2

About 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol

2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol (PubChem CID 155391780) has the molecular formula C12H6Cl2F2O2S and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol
PubChem CID155391780
Molecular FormulaC12H6Cl2F2O2S
Molecular Weight323.15 g/mol
Exact Mass321.94
IUPAC Name2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol
SMILESOc1c(Cl)cc(F)cc1Sc1cc(F)cc(Cl)c1O
InChIInChI=1S/C12H6Cl2F2O2S/c13-7-1-5(15)3-9(11(7)17)19-10-4-6(16)2-8(14)12(10)18/h1-4,17-18H
InChIKeyZZVGJHVGTZKKCZ-UHFFFAOYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol?
The IUPAC name of 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol (CID 155391780) is 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol.
What is the SMILES notation for 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol?
The canonical SMILES for 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol is Oc1c(Cl)cc(F)cc1Sc1cc(F)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol?
The InChIKey is ZZVGJHVGTZKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F2O2S/c13-7-1-5(15)3-9(11(7)17)19-10-4-6(16)2-8(14)12(10)18/h1-4,17-18H.
What are the key properties of 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol?
2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol has a molecular weight of 323.15 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-5-fluoro-2-hydroxyphenyl)sulfanyl-4-fluorophenol is sourced from PubChem (CID 155391780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).