fluoro(fluoromethylsulfonylsulfanyl)methane

C2H4F2O2S2 — CID 139934236

IUPACfluoro(fluoromethylsulfonylsulfanyl)methane
SMILESO=S(=O)(CF)SCF
InChIInChI=1S/C2H4F2O2S2/c3-1-7-8(5,6)2-4/h1-2H2
InChIKeyYJAKRAGZCBQMFL-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.90
Rot. Bonds3

About fluoro(fluoromethylsulfonylsulfanyl)methane

fluoro(fluoromethylsulfonylsulfanyl)methane (PubChem CID 139934236) has the molecular formula C2H4F2O2S2 and a molecular weight of 162.18 g/mol. Its IUPAC name is fluoro(fluoromethylsulfonylsulfanyl)methane.

Molecular Properties

Compound Namefluoro(fluoromethylsulfonylsulfanyl)methane
PubChem CID139934236
Molecular FormulaC2H4F2O2S2
Molecular Weight162.18 g/mol
Exact Mass161.96
IUPAC Namefluoro(fluoromethylsulfonylsulfanyl)methane
SMILESO=S(=O)(CF)SCF
InChIInChI=1S/C2H4F2O2S2/c3-1-7-8(5,6)2-4/h1-2H2
InChIKeyYJAKRAGZCBQMFL-UHFFFAOYSA-N
XLogP0.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro(fluoromethylsulfonylsulfanyl)methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro(fluoromethylsulfonylsulfanyl)methane?
The IUPAC name of fluoro(fluoromethylsulfonylsulfanyl)methane (CID 139934236) is fluoro(fluoromethylsulfonylsulfanyl)methane.
What is the SMILES notation for fluoro(fluoromethylsulfonylsulfanyl)methane?
The canonical SMILES for fluoro(fluoromethylsulfonylsulfanyl)methane is O=S(=O)(CF)SCF.
What is the InChIKey of fluoro(fluoromethylsulfonylsulfanyl)methane?
The InChIKey is YJAKRAGZCBQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O2S2/c3-1-7-8(5,6)2-4/h1-2H2.
What are the key properties of fluoro(fluoromethylsulfonylsulfanyl)methane?
fluoro(fluoromethylsulfonylsulfanyl)methane has a molecular weight of 162.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(fluoromethylsulfonylsulfanyl)methane is sourced from PubChem (CID 139934236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).