1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane

C6H2F12S2 — CID 14665818

IUPAC1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
SMILESFC(F)(F)C(SSC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12S2/c7-3(8,9)1(4(10,11)12)19-20-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyWRCGUVPJMIQGCG-UHFFFAOYSA-N
MW366.19 g/mol
LogP5.35
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane

1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane (PubChem CID 14665818) has the molecular formula C6H2F12S2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
PubChem CID14665818
Molecular FormulaC6H2F12S2
Molecular Weight366.19 g/mol
Exact Mass365.94
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
SMILESFC(F)(F)C(SSC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F12S2/c7-3(8,9)1(4(10,11)12)19-20-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyWRCGUVPJMIQGCG-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.19
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane (CID 14665818) is 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane is FC(F)(F)C(SSC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane?
The InChIKey is WRCGUVPJMIQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12S2/c7-3(8,9)1(4(10,11)12)19-20-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane?
1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane has a molecular weight of 366.19 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane is sourced from PubChem (CID 14665818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).