2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol

C12H2F8OS2 — CID 102320513

IUPAC2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol
SMILESOc1c(F)c(F)c(F)c(F)c1Sc1c(F)c(F)c(F)c(F)c1S
InChIInChI=1S/C12H2F8OS2/c13-1-3(15)7(19)11(9(21)5(1)17)23-12-8(20)4(16)2(14)6(18)10(12)22/h21-22H
InChIKeyJAFXCAIGEKWBAY-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.94
Rot. Bonds2

About 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol

2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol (PubChem CID 102320513) has the molecular formula C12H2F8OS2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol
PubChem CID102320513
Molecular FormulaC12H2F8OS2
Molecular Weight378.27 g/mol
Exact Mass377.94
IUPAC Name2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol
SMILESOc1c(F)c(F)c(F)c(F)c1Sc1c(F)c(F)c(F)c(F)c1S
InChIInChI=1S/C12H2F8OS2/c13-1-3(15)7(19)11(9(21)5(1)17)23-12-8(20)4(16)2(14)6(18)10(12)22/h21-22H
InChIKeyJAFXCAIGEKWBAY-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol (CID 102320513) is 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol is Oc1c(F)c(F)c(F)c(F)c1Sc1c(F)c(F)c(F)c(F)c1S.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol?
The InChIKey is JAFXCAIGEKWBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F8OS2/c13-1-3(15)7(19)11(9(21)5(1)17)23-12-8(20)4(16)2(14)6(18)10(12)22/h21-22H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol?
2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol has a molecular weight of 378.27 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(2,3,4,5-tetrafluoro-6-sulfanylphenyl)sulfanylphenol is sourced from PubChem (CID 102320513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).