1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane

C10H10F12S2 — CID 87625064

IUPAC1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane
SMILESFC(F)(F)CC(CC(F)(F)F)SSC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H10F12S2/c11-7(12,13)1-5(2-8(14,15)16)23-24-6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2
InChIKeyOQURUCKJHQZSJW-UHFFFAOYSA-N
MW422.30 g/mol
LogP6.91
Rot. Bonds7

About 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane

1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane (PubChem CID 87625064) has the molecular formula C10H10F12S2 and a molecular weight of 422.30 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane
PubChem CID87625064
Molecular FormulaC10H10F12S2
Molecular Weight422.30 g/mol
Exact Mass422.00
IUPAC Name1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane
SMILESFC(F)(F)CC(CC(F)(F)F)SSC(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H10F12S2/c11-7(12,13)1-5(2-8(14,15)16)23-24-6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2
InChIKeyOQURUCKJHQZSJW-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.30
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disulfides, bis(gamma-omega-perfluoro-C6-20-alkyl)
CID 3086586
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
3,3,4,4-Tetrafluorohexane-1,6-dithiol
CID 87063858
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
1,1,1,2,2-Pentafluoro-3-(1,1,1,2,2-pentafluoropentan-3-yldisulfanyl)pentane
CID 87128270
1,1,1,2,2-Pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
CID 87128375
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane (CID 87625064) is 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane is FC(F)(F)CC(CC(F)(F)F)SSC(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane?
The InChIKey is OQURUCKJHQZSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12S2/c11-7(12,13)1-5(2-8(14,15)16)23-24-6(3-9(17,18)19)4-10(20,21)22/h5-6H,1-4H2.
What are the key properties of 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane?
1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane has a molecular weight of 422.30 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-3-(1,1,1,5,5,5-hexafluoropentan-3-yldisulfanyl)pentane is sourced from PubChem (CID 87625064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).