1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

C8H5F11S2 — CID 87155021

IUPAC1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESCCSSC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11S2/c1-2-20-21-8(19)6(15,16)4(11,12)3(9,10)5(13,14)7(8,17)18/h2H2,1H3
InChIKeyHCWBFISNXNPQLK-UHFFFAOYSA-N
MW374.24 g/mol
LogP5.24
Rot. Bonds3

About 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (PubChem CID 87155021) has the molecular formula C8H5F11S2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
PubChem CID87155021
Molecular FormulaC8H5F11S2
Molecular Weight374.24 g/mol
Exact Mass373.97
IUPAC Name1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
SMILESCCSSC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H5F11S2/c1-2-20-21-8(19)6(15,16)4(11,12)3(9,10)5(13,14)7(8,17)18/h2H2,1H3
InChIKeyHCWBFISNXNPQLK-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Disulfides, bis(gamma-omega-perfluoro-C6-20-alkyl)
CID 3086586
1-Fluoro-2-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87154274
1-Fluoro-4-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155014
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155363
1-Fluoro-3-(2,2,2-trifluoroethyldisulfanyl)cyclohexane
CID 87155764
1-(Ethyldisulfanyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 150763912
1-Fluoro-2-(methyldisulfanyl)cyclohexane;1,1,1,3,3,3-hexafluoro-2-(methyldisulfanyl)-2-(trifluoromethyl)propane
CID 161943854

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The IUPAC name of 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane (CID 87155021) is 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The canonical SMILES for 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is CCSSC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
The InChIKey is HCWBFISNXNPQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F11S2/c1-2-20-21-8(19)6(15,16)4(11,12)3(9,10)5(13,14)7(8,17)18/h2H2,1H3.
What are the key properties of 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane?
1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane has a molecular weight of 374.24 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane is sourced from PubChem (CID 87155021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).