3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium

C5H6F6O2S2 — CID 175587310

IUPAC3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium
SMILES[O-][S+](CCCF)[S+]([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F6O2S2/c6-2-1-3-14(12)15(13)5(10,11)4(7,8)9/h1-3H2
InChIKeyHIPNTEYYEMLAIB-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.91
Rot. Bonds5

About 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium

3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium (PubChem CID 175587310) has the molecular formula C5H6F6O2S2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium.

Molecular Properties

Compound Name3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium
PubChem CID175587310
Molecular FormulaC5H6F6O2S2
Molecular Weight276.22 g/mol
Exact Mass275.97
IUPAC Name3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium
SMILES[O-][S+](CCCF)[S+]([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F6O2S2/c6-2-1-3-14(12)15(13)5(10,11)4(7,8)9/h1-3H2
InChIKeyHIPNTEYYEMLAIB-UHFFFAOYSA-N
XLogP1.91
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-Difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
CID 87931297
3,3,4,4-Tetrafluorobutane-1-sulfinate
CID 91200397
3,3,4,4,4-Pentafluorobutane-1-sulfinate
CID 91457882
1,1,2-Trifluoro-2-(1,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
CID 117994151
Oxo(3,3,4,4-tetrafluorobutyl)sulfanium
CID 149341913
1,1,1-Trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
CID 174687993
1,1,1-Trifluoro-3-(3,3,3-trifluoropropylsulfanyloxysulfanyl)propane
CID 174859227
2,2-Difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium
CID 175364453
Sulfanium 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 17973443

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium?
The IUPAC name of 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium (CID 175587310) is 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium.
What is the SMILES notation for 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium?
The canonical SMILES for 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium is [O-][S+](CCCF)[S+]([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium?
The InChIKey is HIPNTEYYEMLAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2S2/c6-2-1-3-14(12)15(13)5(10,11)4(7,8)9/h1-3H2.
What are the key properties of 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium?
3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium has a molecular weight of 276.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium is sourced from PubChem (CID 175587310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).