1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane

C2H2F6O3S2 — CID 123709991

IUPAC1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane
SMILESO=S(=O)(OCC(F)(F)F)S(F)(F)F
InChIInChI=1S/C2H2F6O3S2/c3-2(4,5)1-11-13(9,10)12(6,7)8/h1H2
InChIKeyXPPFWBVTWIQNJV-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.27
Rot. Bonds3

About 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane

1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane (PubChem CID 123709991) has the molecular formula C2H2F6O3S2 and a molecular weight of 252.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane
PubChem CID123709991
Molecular FormulaC2H2F6O3S2
Molecular Weight252.16 g/mol
Exact Mass251.93
IUPAC Name1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane
SMILESO=S(=O)(OCC(F)(F)F)S(F)(F)F
InChIInChI=1S/C2H2F6O3S2/c3-2(4,5)1-11-13(9,10)12(6,7)8/h1H2
InChIKeyXPPFWBVTWIQNJV-UHFFFAOYSA-N
XLogP2.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.27
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 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane (CID 123709991) is 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane is O=S(=O)(OCC(F)(F)F)S(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane?
The InChIKey is XPPFWBVTWIQNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F6O3S2/c3-2(4,5)1-11-13(9,10)12(6,7)8/h1H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane?
1,1,1-trifluoro-2-(trifluoro-λ4-sulfanyl)sulfonyloxyethane has a molecular weight of 252.16 g/mol, XLogP of 2.27, 3 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-(trifluoro-λ4-sulfanyl)sulfonyloxyethane is sourced from PubChem (CID 123709991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).