2-methyl-2-methylsulfonylpropane;hydrofluoride

C5H13FO2S — CID 87154921

IUPAC2-methyl-2-methylsulfonylpropane;hydrofluoride
SMILESCC(C)(C)S(C)(=O)=O.F
InChIInChI=1S/C5H12O2S.FH/c1-5(2,3)8(4,6)7;/h1-4H3;1H
InChIKeyLOLYZOGAYFATFJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.98
Rot. Bonds

About 2-methyl-2-methylsulfonylpropane;hydrofluoride

2-methyl-2-methylsulfonylpropane;hydrofluoride (PubChem CID 87154921) has the molecular formula C5H13FO2S and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonylpropane;hydrofluoride.

Molecular Properties

Compound Name2-methyl-2-methylsulfonylpropane;hydrofluoride
PubChem CID87154921
Molecular FormulaC5H13FO2S
Molecular Weight156.22 g/mol
Exact Mass156.06
IUPAC Name2-methyl-2-methylsulfonylpropane;hydrofluoride
SMILESCC(C)(C)S(C)(=O)=O.F
InChIInChI=1S/C5H12O2S.FH/c1-5(2,3)8(4,6)7;/h1-4H3;1H
InChIKeyLOLYZOGAYFATFJ-UHFFFAOYSA-N
XLogP0.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonylpropane;hydrofluoride?
The IUPAC name of 2-methyl-2-methylsulfonylpropane;hydrofluoride (CID 87154921) is 2-methyl-2-methylsulfonylpropane;hydrofluoride.
What is the SMILES notation for 2-methyl-2-methylsulfonylpropane;hydrofluoride?
The canonical SMILES for 2-methyl-2-methylsulfonylpropane;hydrofluoride is CC(C)(C)S(C)(=O)=O.F.
What is the InChIKey of 2-methyl-2-methylsulfonylpropane;hydrofluoride?
The InChIKey is LOLYZOGAYFATFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S.FH/c1-5(2,3)8(4,6)7;/h1-4H3;1H.
What are the key properties of 2-methyl-2-methylsulfonylpropane;hydrofluoride?
2-methyl-2-methylsulfonylpropane;hydrofluoride has a molecular weight of 156.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonylpropane;hydrofluoride is sourced from PubChem (CID 87154921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).