1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane

C6H4F10S2 — CID 87128375

IUPAC1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
SMILESFC(F)(F)C(F)(F)CSSCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10S2/c7-3(8,5(11,12)13)1-17-18-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyOIEAZLLBTPQEGU-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.76
Rot. Bonds5

About 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane

1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane (PubChem CID 87128375) has the molecular formula C6H4F10S2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
PubChem CID87128375
Molecular FormulaC6H4F10S2
Molecular Weight330.21 g/mol
Exact Mass329.96
IUPAC Name1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane
SMILESFC(F)(F)C(F)(F)CSSCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10S2/c7-3(8,5(11,12)13)1-17-18-2-4(9,10)6(14,15)16/h1-2H2
InChIKeyOIEAZLLBTPQEGU-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.76
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'}

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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
4,4,5,5,5-Pentafluoropentane-1-thiol
CID 11138000
Bis(trifluoroethyl)dithio
CID 15036106
1,1,1,4,4,4-Hexafluorobutane-2,3-dithiol
CID 58489749
1,1,1,4,4,4-Hexafluoro-3-sulfanylbutane-2-thione
CID 91568617
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane?
The IUPAC name of 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane (CID 87128375) is 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane is FC(F)(F)C(F)(F)CSSCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane?
The InChIKey is OIEAZLLBTPQEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10S2/c7-3(8,5(11,12)13)1-17-18-2-4(9,10)6(14,15)16/h1-2H2.
What are the key properties of 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane?
1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane has a molecular weight of 330.21 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-3-(2,2,3,3,3-pentafluoropropyldisulfanyl)propane is sourced from PubChem (CID 87128375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).