propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate

C8H8F8S2 — CID 4737272

IUPACpropyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
SMILESCCCSC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F8S2/c1-2-3-18-5(17)7(13,14)8(15,16)6(11,12)4(9)10/h4H,2-3H2,1H3
InChIKeyXIVYASOYEWJLIR-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.63
Rot. Bonds6

About propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate

propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate (PubChem CID 4737272) has the molecular formula C8H8F8S2 and a molecular weight of 320.27 g/mol. Its IUPAC name is propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate.

Molecular Properties

Compound Namepropyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
PubChem CID4737272
Molecular FormulaC8H8F8S2
Molecular Weight320.27 g/mol
Exact Mass319.99
IUPAC Namepropyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate
SMILESCCCSC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H8F8S2/c1-2-3-18-5(17)7(13,14)8(15,16)6(11,12)4(9)10/h4H,2-3H2,1H3
InChIKeyXIVYASOYEWJLIR-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
4,4-Bis(ethylsulfanyl)-1,1,1,2,2,3,3-heptafluorobutane
CID 10040699
Butyl trifluorodithioacetate
CID 4739340
Ethyl 2,2,3,3,4,4,4-heptafluorobutanedithioate
CID 15324453
Propyl 2,2,3,3,4,4,4-heptafluorobutanedithioate
CID 15324455
2,2,2',2'-Tetrafluorodipropyl sulfide
CID 129670314
1-[(2,2,3,3-Tetrafluoropropyl)thio]pentane
CID 2259847
Kvmixdskqrmypo-uhfffaoysa-
CID 13101897
Butyl 2,2,3,3,3-pentafluoropropanedithioate
CID 101413111
1-Butylsulfanyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 10092845
1-(1,1,2,2,2-Pentafluoroethylsulfanyl)butane
CID 11506712
1-Butylsulfanyl-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 11594708

Frequently Asked Questions

What is the IUPAC name of propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate?
The IUPAC name of propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate (CID 4737272) is propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate.
What is the SMILES notation for propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate?
The canonical SMILES for propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate is CCCSC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate?
The InChIKey is XIVYASOYEWJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8S2/c1-2-3-18-5(17)7(13,14)8(15,16)6(11,12)4(9)10/h4H,2-3H2,1H3.
What are the key properties of propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate?
propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate has a molecular weight of 320.27 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2,3,3,4,4,5,5-octafluoropentanedithioate is sourced from PubChem (CID 4737272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).