1,1,1-trifluoro-2-methylsulfanylsulfonylethane

C3H5F3O2S2 — CID 2760708

IUPAC1,1,1-trifluoro-2-methylsulfanylsulfonylethane
SMILESCSS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-9-10(7,8)2-3(4,5)6/h2H2,1H3
InChIKeyUXINNTGVLZDOIE-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.24
Rot. Bonds2

About 1,1,1-trifluoro-2-methylsulfanylsulfonylethane

1,1,1-trifluoro-2-methylsulfanylsulfonylethane (PubChem CID 2760708) has the molecular formula C3H5F3O2S2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfanylsulfonylethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfanylsulfonylethane
PubChem CID2760708
Molecular FormulaC3H5F3O2S2
Molecular Weight194.20 g/mol
Exact Mass193.97
IUPAC Name1,1,1-trifluoro-2-methylsulfanylsulfonylethane
SMILESCSS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3O2S2/c1-9-10(7,8)2-3(4,5)6/h2H2,1H3
InChIKeyUXINNTGVLZDOIE-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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

Trifluoromethanesulphonylethane
CID 18551361
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
Dimethyl(methylthio) trifluoromethanesulfonate
CID 87517389
1,1-Difluoropropane-2-sulfonyl chloride
CID 122163554
S-(2-Fluoroethyl) methanesulfonothioate
CID 555990
S-(2,2,2-Trifluoroethyl) methanesulfonothioate
CID 556221
Ethylsulfanyl trifluoromethanesulfonate
CID 12963239
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
1,1,1-Trifluoro-2-methylsulfonylethane
CID 20513524
2,2,2-Trifluoroethyl-methanesulfonate
CID 21470016

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfanylsulfonylethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfanylsulfonylethane (CID 2760708) is 1,1,1-trifluoro-2-methylsulfanylsulfonylethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfanylsulfonylethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfanylsulfonylethane is CSS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfanylsulfonylethane?
The InChIKey is UXINNTGVLZDOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2S2/c1-9-10(7,8)2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfanylsulfonylethane?
1,1,1-trifluoro-2-methylsulfanylsulfonylethane has a molecular weight of 194.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfanylsulfonylethane is sourced from PubChem (CID 2760708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).