[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane

C12H6F20S4 — CID 139186957

IUPAC[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H6F20S4/c13-33(14,15,16,17)9-1-7(2-10(5-9)34(18,19,20,21)22)8-3-11(35(23,24,25,26)27)6-12(4-8)36(28,29,30,31)32/h1-6H
InChIKeyKENPINGAQWJFOG-UHFFFAOYSA-N
MW658.41 g/mol
LogP13.98
Rot. Bonds5

About [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane

[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane (PubChem CID 139186957) has the molecular formula C12H6F20S4 and a molecular weight of 658.41 g/mol. Its IUPAC name is [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
PubChem CID139186957
Molecular FormulaC12H6F20S4
Molecular Weight658.41 g/mol
Exact Mass657.90
IUPAC Name[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C12H6F20S4/c13-33(14,15,16,17)9-1-7(2-10(5-9)34(18,19,20,21)22)8-3-11(35(23,24,25,26)27)6-12(4-8)36(28,29,30,31)32/h1-6H
InChIKeyKENPINGAQWJFOG-UHFFFAOYSA-N
XLogP13.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.41
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane (CID 139186957) is [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1cc(-c2cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c2)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is KENPINGAQWJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F20S4/c13-33(14,15,16,17)9-1-7(2-10(5-9)34(18,19,20,21)22)8-3-11(35(23,24,25,26)27)6-12(4-8)36(28,29,30,31)32/h1-6H.
What are the key properties of [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
[3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 658.41 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3,5-bis(pentafluoro-λ6-sulfanyl)phenyl]-5-(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 139186957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).