2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane

C12H24F6O2S — CID 158061482

IUPAC2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CS(C)(=O)=O
InChIInChI=1S/C5H6F6.C5H12.C2H6O2S/c1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4/h1-2H3;1-4H3;1-2H3
InChIKeyFKRZVRDJAIVNIN-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.85
Rot. Bonds

About 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane

2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane (PubChem CID 158061482) has the molecular formula C12H24F6O2S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane.

Molecular Properties

Compound Name2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane
PubChem CID158061482
Molecular FormulaC12H24F6O2S
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane
SMILESCC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CS(C)(=O)=O
InChIInChI=1S/C5H6F6.C5H12.C2H6O2S/c1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4/h1-2H3;1-4H3;1-2H3
InChIKeyFKRZVRDJAIVNIN-UHFFFAOYSA-N
XLogP4.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one
CID 158159378
2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane
CID 158771443
benzene;bis(2,2-dimethylpropane);ethane;bis(1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane);methoxymethane;methylsulfanylmethane;methylsulfonylmethane;propane;bis(propan-2-one)
CID 160630765
benzene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfanylmethane;methylsulfinylmethane;methylsulfonylmethane;propan-2-one
CID 160852246
trifluoro(methylsulfonyl)methane
CID 11215049
9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one
CID 159179868
dimethyl carbonate;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;N-methylacetamide;methyl acetate;methyl N-methylcarbamate;2-methylpropane;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one
CID 160563130
9,9-dimethylfluorene;2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methoxymethane;methylsulfonylmethane;propane;propan-2-one;tetramethylsilane
CID 158611595
1,1,1-trifluoro-2-methylpropane-2-sulfonate
CID 159704009
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
CID 54245833
1,1-difluoroethyl(trimethyl)-λ4-sulfane
CID 123825931
bis(2,2-dimethylpropane);2-methylpropane;methylsulfonylmethane;propane;2,2,4,4-tetramethylpentan-1-ol;1,1,1-trifluoro-2,2-dimethylpropane
CID 159009190

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane?
The IUPAC name of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane (CID 158061482) is 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane.
What is the SMILES notation for 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane?
The canonical SMILES for 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane is CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CS(C)(=O)=O.
What is the InChIKey of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane?
The InChIKey is FKRZVRDJAIVNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C5H12.C2H6O2S/c1-3(2,4(6,7)8)5(9,10)11;2*1-5(2,3)4/h1-2H3;1-4H3;1-2H3.
What are the key properties of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane?
2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane has a molecular weight of 346.38 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane is sourced from PubChem (CID 158061482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).