3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane

C12H14F12S2 — CID 3086586

IUPAC3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H14F12S2/c1-7(13,14)11(21,22)9(17,18)3-5-25-26-6-4-10(19,20)12(23,24)8(2,15)16/h3-6H2,1-2H3
InChIKeyCIZUOSOWGOENRE-UHFFFAOYSA-N
MW450.35 g/mol
LogP7.00
Rot. Bonds11

About 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane

3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane (PubChem CID 3086586) has the molecular formula C12H14F12S2 and a molecular weight of 450.35 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane
PubChem CID3086586
Molecular FormulaC12H14F12S2
Molecular Weight450.35 g/mol
Exact Mass450.03
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane
SMILESCC(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C12H14F12S2/c1-7(13,14)11(21,22)9(17,18)3-5-25-26-6-4-10(19,20)12(23,24)8(2,15)16/h3-6H2,1-2H3
InChIKeyCIZUOSOWGOENRE-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 57.00
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
3,3,4,4-Tetrafluorohexane-1,6-dithiol
CID 87063858
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
CID 87128270
1,1,1-Trifluoro-3-(4,4,4-trifluorobutan-2-yldisulfanyl)butane
CID 87128405
1,1,1-Trifluoro-3-(1,1,1-trifluoropentan-3-yldisulfanyl)pentane
CID 87128614
1,1,1,2,2-Pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-yldisulfanyl)butane
CID 87128669
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-yldisulfanyl)propane
CID 87128720
1,1,1-Trifluoro-2-(1,1,1-trifluorobutan-2-yldisulfanyl)butane
CID 87128734
1-Fluoro-2-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87154274
1-Fluoro-4-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155014
1-(Ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 87155021
1-Fluoro-3-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155764

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane (CID 3086586) is 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane is CC(F)(F)C(F)(F)C(F)(F)CCSSCCC(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane?
The InChIKey is CIZUOSOWGOENRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F12S2/c1-7(13,14)11(21,22)9(17,18)3-5-25-26-6-4-10(19,20)12(23,24)8(2,15)16/h3-6H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane?
3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane has a molecular weight of 450.35 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane is sourced from PubChem (CID 3086586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).