2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane

C4H5F5O2S2 — CID 87931297

IUPAC2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
SMILESO=S(CC(F)F)S(=O)CC(F)(F)F
InChIInChI=1S/C4H5F5O2S2/c5-3(6)1-12(10)13(11)2-4(7,8)9/h3H,1-2H2
InChIKeyLLCYSZBDXDHMAF-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane

2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane (PubChem CID 87931297) has the molecular formula C4H5F5O2S2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
PubChem CID87931297
Molecular FormulaC4H5F5O2S2
Molecular Weight244.21 g/mol
Exact Mass243.97
IUPAC Name2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane
SMILESO=S(CC(F)F)S(=O)CC(F)(F)F
InChIInChI=1S/C4H5F5O2S2/c5-3(6)1-12(10)13(11)2-4(7,8)9/h3H,1-2H2
InChIKeyLLCYSZBDXDHMAF-UHFFFAOYSA-N
XLogP1.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.23
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

Zinc(II) 2,2,2-trifluoroethane-1-sulfinate
CID 121237620
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
1-(Trifluoromethylsulfinylsulfinyl)ethane
CID 91155279
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
1-Ethylsulfonylsulfanyl-1,1,2,2,2-pentafluoroethane
CID 139934245
Oxo(3,3,4,4-tetrafluorobutyl)sulfanium
CID 149341913
1,1,1-Trifluoro-2-(2,2,2-trifluoroethylsulfanyloxysulfanyl)ethane
CID 174687993
2,2-Difluoroethyl-[2-fluoroethyl(oxido)sulfonio]-oxidosulfanium
CID 175364453
3-Fluoropropyl-oxido-[oxido(1,1,2,2,2-pentafluoroethyl)sulfonio]sulfanium
CID 175587310
Sulfanium 2,2,3,3,4,4,4-heptafluorobutane-1-sulfonate
CID 17973443

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane?
The IUPAC name of 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane (CID 87931297) is 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane is O=S(CC(F)F)S(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane?
The InChIKey is LLCYSZBDXDHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O2S2/c5-3(6)1-12(10)13(11)2-4(7,8)9/h3H,1-2H2.
What are the key properties of 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane?
2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane has a molecular weight of 244.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfinylsulfinyl)-1,1,1-trifluoroethane is sourced from PubChem (CID 87931297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).