trifluoro(trifluoromethylsulfonylsulfanyl)methane

C2F6O2S2 — CID 11817163

IUPACtrifluoro(trifluoromethylsulfonylsulfanyl)methane
SMILESO=S(=O)(SC(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O2S2/c3-1(4,5)11-12(9,10)2(6,7)8
InChIKeyNRDFWKDYCRAOTE-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.09
Rot. Bonds1

About trifluoro(trifluoromethylsulfonylsulfanyl)methane

trifluoro(trifluoromethylsulfonylsulfanyl)methane (PubChem CID 11817163) has the molecular formula C2F6O2S2 and a molecular weight of 234.14 g/mol. Its IUPAC name is trifluoro(trifluoromethylsulfonylsulfanyl)methane.

Molecular Properties

Compound Nametrifluoro(trifluoromethylsulfonylsulfanyl)methane
PubChem CID11817163
Molecular FormulaC2F6O2S2
Molecular Weight234.14 g/mol
Exact Mass233.92
IUPAC Nametrifluoro(trifluoromethylsulfonylsulfanyl)methane
SMILESO=S(=O)(SC(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F6O2S2/c3-1(4,5)11-12(9,10)2(6,7)8
InChIKeyNRDFWKDYCRAOTE-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(trifluoromethylsulfonylsulfanyl)methane?
The IUPAC name of trifluoro(trifluoromethylsulfonylsulfanyl)methane (CID 11817163) is trifluoro(trifluoromethylsulfonylsulfanyl)methane.
What is the SMILES notation for trifluoro(trifluoromethylsulfonylsulfanyl)methane?
The canonical SMILES for trifluoro(trifluoromethylsulfonylsulfanyl)methane is O=S(=O)(SC(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoro(trifluoromethylsulfonylsulfanyl)methane?
The InChIKey is NRDFWKDYCRAOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O2S2/c3-1(4,5)11-12(9,10)2(6,7)8.
What are the key properties of trifluoro(trifluoromethylsulfonylsulfanyl)methane?
trifluoro(trifluoromethylsulfonylsulfanyl)methane has a molecular weight of 234.14 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(trifluoromethylsulfonylsulfanyl)methane is sourced from PubChem (CID 11817163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).