1-(trifluoromethylsulfanylsulfonyl)ethane

C3H5F3O2S2 — CID 139934250

IUPAC1-(trifluoromethylsulfanylsulfonyl)ethane
SMILESCCS(=O)(=O)SC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-2-10(7,8)9-3(4,5)6/h2H2,1H3
InChIKeyYMUDLLWQFDJVAC-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.59
Rot. Bonds2

About 1-(trifluoromethylsulfanylsulfonyl)ethane

1-(trifluoromethylsulfanylsulfonyl)ethane (PubChem CID 139934250) has the molecular formula C3H5F3O2S2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(trifluoromethylsulfanylsulfonyl)ethane.

Molecular Properties

Compound Name1-(trifluoromethylsulfanylsulfonyl)ethane
PubChem CID139934250
Molecular FormulaC3H5F3O2S2
Molecular Weight194.20 g/mol
Exact Mass193.97
IUPAC Name1-(trifluoromethylsulfanylsulfonyl)ethane
SMILESCCS(=O)(=O)SC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-2-10(7,8)9-3(4,5)6/h2H2,1H3
InChIKeyYMUDLLWQFDJVAC-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonylsulfanyl-2-methylpropane
CID 126550407
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
sulfuryl dibromide;1,1,1-trifluoropropane
CID 175054852
1-ethylsulfonylsulfanylpropane
CID 171772956
1-(trifluoromethylsulfonylmethylsulfanyl)ethane
CID 131227193
1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
CID 88500193
CID 88500193
ethyl(trimethyl)azanium;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 175259089
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
tricosane;trifluoromethanesulfonic acid
CID 161255361
3-methyl-3-(trifluoromethylsulfonyl)pentane
CID 88539345
N-(2-butylsulfanyl-1,1,1,3,3,3-hexafluoropropan-2-yl)methanesulfonamide
CID 12600535

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfanylsulfonyl)ethane?
The IUPAC name of 1-(trifluoromethylsulfanylsulfonyl)ethane (CID 139934250) is 1-(trifluoromethylsulfanylsulfonyl)ethane.
What is the SMILES notation for 1-(trifluoromethylsulfanylsulfonyl)ethane?
The canonical SMILES for 1-(trifluoromethylsulfanylsulfonyl)ethane is CCS(=O)(=O)SC(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfanylsulfonyl)ethane?
The InChIKey is YMUDLLWQFDJVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2S2/c1-2-10(7,8)9-3(4,5)6/h2H2,1H3.
What are the key properties of 1-(trifluoromethylsulfanylsulfonyl)ethane?
1-(trifluoromethylsulfanylsulfonyl)ethane has a molecular weight of 194.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfanylsulfonyl)ethane is sourced from PubChem (CID 139934250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).