fluoro-bis(methylsulfonyl)methane

C3H7FO4S2 — CID 135295866

IUPACfluoro-bis(methylsulfonyl)methane
SMILESCS(=O)(=O)C(F)S(C)(=O)=O
InChIInChI=1S/C3H7FO4S2/c1-9(5,6)3(4)10(2,7)8/h3H,1-2H3
InChIKeyVSYHSRUBLAMIMU-UHFFFAOYSA-N
MW190.22 g/mol
LogP-0.67
Rot. Bonds2

About fluoro-bis(methylsulfonyl)methane

fluoro-bis(methylsulfonyl)methane (PubChem CID 135295866) has the molecular formula C3H7FO4S2 and a molecular weight of 190.22 g/mol. Its IUPAC name is fluoro-bis(methylsulfonyl)methane.

Molecular Properties

Compound Namefluoro-bis(methylsulfonyl)methane
PubChem CID135295866
Molecular FormulaC3H7FO4S2
Molecular Weight190.22 g/mol
Exact Mass189.98
IUPAC Namefluoro-bis(methylsulfonyl)methane
SMILESCS(=O)(=O)C(F)S(C)(=O)=O
InChIInChI=1S/C3H7FO4S2/c1-9(5,6)3(4)10(2,7)8/h3H,1-2H3
InChIKeyVSYHSRUBLAMIMU-UHFFFAOYSA-N
XLogP-0.67
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro-bis(methylsulfonyl)methane?
The IUPAC name of fluoro-bis(methylsulfonyl)methane (CID 135295866) is fluoro-bis(methylsulfonyl)methane.
What is the SMILES notation for fluoro-bis(methylsulfonyl)methane?
The canonical SMILES for fluoro-bis(methylsulfonyl)methane is CS(=O)(=O)C(F)S(C)(=O)=O.
What is the InChIKey of fluoro-bis(methylsulfonyl)methane?
The InChIKey is VSYHSRUBLAMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO4S2/c1-9(5,6)3(4)10(2,7)8/h3H,1-2H3.
What are the key properties of fluoro-bis(methylsulfonyl)methane?
fluoro-bis(methylsulfonyl)methane has a molecular weight of 190.22 g/mol, XLogP of -0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-bis(methylsulfonyl)methane is sourced from PubChem (CID 135295866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).