2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C6H5F9S2 — CID 87154393

IUPAC2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCSSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S2/c1-2-16-17-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyBDXBFLGXWPUHPP-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.81
Rot. Bonds3

About 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 87154393) has the molecular formula C6H5F9S2 and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID87154393
Molecular FormulaC6H5F9S2
Molecular Weight312.22 g/mol
Exact Mass311.97
IUPAC Name2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCSSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9S2/c1-2-16-17-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyBDXBFLGXWPUHPP-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

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
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
3,3,4,4,4-Pentafluorobutane-2-thiol
CID 57032580
Bis(3,3,3-trifluoropropyl) disulfide
CID 87127999
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 87154393) is 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is CCSSC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is BDXBFLGXWPUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9S2/c1-2-16-17-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 312.22 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyldisulfanyl)-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 87154393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).