5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol

C12H6F4O2S2 — CID 141456855

IUPAC5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol
SMILESOc1cc(SSc2cc(O)c(F)cc2F)c(F)cc1F
InChIInChI=1S/C12H6F4O2S2/c13-5-1-7(15)11(3-9(5)17)19-20-12-4-10(18)6(14)2-8(12)16/h1-4,17-18H
InChIKeyLYBBZAKYOWAIOF-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.45
Rot. Bonds3

About 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol

5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol (PubChem CID 141456855) has the molecular formula C12H6F4O2S2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol.

Molecular Properties

Compound Name5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol
PubChem CID141456855
Molecular FormulaC12H6F4O2S2
Molecular Weight322.30 g/mol
Exact Mass321.97
IUPAC Name5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol
SMILESOc1cc(SSc2cc(O)c(F)cc2F)c(F)cc1F
InChIInChI=1S/C12H6F4O2S2/c13-5-1-7(15)11(3-9(5)17)19-20-12-4-10(18)6(14)2-8(12)16/h1-4,17-18H
InChIKeyLYBBZAKYOWAIOF-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol?
The IUPAC name of 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol (CID 141456855) is 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol.
What is the SMILES notation for 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol?
The canonical SMILES for 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol is Oc1cc(SSc2cc(O)c(F)cc2F)c(F)cc1F.
What is the InChIKey of 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol?
The InChIKey is LYBBZAKYOWAIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O2S2/c13-5-1-7(15)11(3-9(5)17)19-20-12-4-10(18)6(14)2-8(12)16/h1-4,17-18H.
What are the key properties of 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol?
5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol has a molecular weight of 322.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluoro-5-hydroxyphenyl)disulfanyl]-2,4-difluorophenol is sourced from PubChem (CID 141456855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).