chlorosulfonylsulfonyl(trifluoro)methane

CClF3O4S2 — CID 134337537

IUPACchlorosulfonylsulfonyl(trifluoro)methane
SMILESO=S(=O)(Cl)S(=O)(=O)C(F)(F)F
InChIInChI=1S/CClF3O4S2/c2-11(8,9)10(6,7)1(3,4)5
InChIKeyKAAITGPXUWGZSM-UHFFFAOYSA-N
MW232.59 g/mol
LogP0.40
Rot. Bonds1

About chlorosulfonylsulfonyl(trifluoro)methane

chlorosulfonylsulfonyl(trifluoro)methane (PubChem CID 134337537) has the molecular formula CClF3O4S2 and a molecular weight of 232.59 g/mol. Its IUPAC name is chlorosulfonylsulfonyl(trifluoro)methane.

Molecular Properties

Compound Namechlorosulfonylsulfonyl(trifluoro)methane
PubChem CID134337537
Molecular FormulaCClF3O4S2
Molecular Weight232.59 g/mol
Exact Mass231.89
IUPAC Namechlorosulfonylsulfonyl(trifluoro)methane
SMILESO=S(=O)(Cl)S(=O)(=O)C(F)(F)F
InChIInChI=1S/CClF3O4S2/c2-11(8,9)10(6,7)1(3,4)5
InChIKeyKAAITGPXUWGZSM-UHFFFAOYSA-N
XLogP0.40
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.59
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonylsulfonyl(trifluoro)methane?
The IUPAC name of chlorosulfonylsulfonyl(trifluoro)methane (CID 134337537) is chlorosulfonylsulfonyl(trifluoro)methane.
What is the SMILES notation for chlorosulfonylsulfonyl(trifluoro)methane?
The canonical SMILES for chlorosulfonylsulfonyl(trifluoro)methane is O=S(=O)(Cl)S(=O)(=O)C(F)(F)F.
What is the InChIKey of chlorosulfonylsulfonyl(trifluoro)methane?
The InChIKey is KAAITGPXUWGZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/CClF3O4S2/c2-11(8,9)10(6,7)1(3,4)5.
What are the key properties of chlorosulfonylsulfonyl(trifluoro)methane?
chlorosulfonylsulfonyl(trifluoro)methane has a molecular weight of 232.59 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonylsulfonyl(trifluoro)methane is sourced from PubChem (CID 134337537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).