1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane

C6H8F6S2 — CID 71334962

IUPAC1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane
SMILESCCCSSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S2/c1-2-3-13-14-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyXYFKROZEDFBEMG-UHFFFAOYSA-N
MW258.25 g/mol
LogP4.27
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane

1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane (PubChem CID 71334962) has the molecular formula C6H8F6S2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane
PubChem CID71334962
Molecular FormulaC6H8F6S2
Molecular Weight258.25 g/mol
Exact Mass258.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane
SMILESCCCSSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6S2/c1-2-3-13-14-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3
InChIKeyXYFKROZEDFBEMG-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(propyldisulfanyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane (CID 71334962) is 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane is CCCSSC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane?
The InChIKey is XYFKROZEDFBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6S2/c1-2-3-13-14-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane?
1,1,1,3,3,3-hexafluoro-2-(propyldisulfanyl)propane has a molecular weight of 258.25 g/mol, XLogP of 4.27, 4 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-(propyldisulfanyl)propane is sourced from PubChem (CID 71334962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).