1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane

C6H5F9S2 — CID 87154618

IUPAC1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCCSSC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9S2/c1-2-16-17-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKeyUJGHCVYPPZJHBX-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.81
Rot. Bonds5

About 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane

1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane (PubChem CID 87154618) has the molecular formula C6H5F9S2 and a molecular weight of 312.22 g/mol. Its IUPAC name is 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

Compound Name1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane
PubChem CID87154618
Molecular FormulaC6H5F9S2
Molecular Weight312.22 g/mol
Exact Mass311.97
IUPAC Name1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane
SMILESCCSSC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9S2/c1-2-16-17-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKeyUJGHCVYPPZJHBX-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.81
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

3,3,4,4,4-Pentafluorobutane-1-thiol
CID 109606
Trifluoromethyl butyl disulfide
CID 546629
Trifluoromethyl n-propyl disulfide
CID 550486
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
2-Fluoro-1-(2-fluoropropyldisulfanyl)propane
CID 13459592
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
Trifluoromethyl S-butyl disulfide
CID 545343
Trifluoromethyl isopropyl disulfide
CID 550487
1,1,1,3,3,3-Hexafluoro-2-(propyldisulfanyl)propane
CID 71334962
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yldisulfanyl)propane
CID 14665818
1,1,1,3,3,3-Hexafluoro-2-methylsulfanylpropane
CID 15655246

Frequently Asked Questions

What is the IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The IUPAC name of 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane (CID 87154618) is 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane.
What is the SMILES notation for 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The canonical SMILES for 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane is CCSSC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane?
The InChIKey is UJGHCVYPPZJHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9S2/c1-2-16-17-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3.
What are the key properties of 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane?
1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 312.22 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethyldisulfanyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 87154618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).