2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one

C20H48F6O4S — CID 158159378

IUPAC2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one
SMILESC.C.C.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.COC.CS(C)(=O)=O
InChIInChI=1S/C5H6F6.C5H12.C3H6O.C2H6O2S.C2H6O.3CH4/c1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;;;/h1-2H3;1-4H3;1-2H3;1-2H3;1-2H3;3*1H4
InChIKeyFWBVQIGAGBEPDK-UHFFFAOYSA-N
MW498.66 g/mol
LogP7.62
Rot. Bonds

About 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one

2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one (PubChem CID 158159378) has the molecular formula C20H48F6O4S and a molecular weight of 498.66 g/mol. Its IUPAC name is 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one.

Molecular Properties

Compound Name2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one
PubChem CID158159378
Molecular FormulaC20H48F6O4S
Molecular Weight498.66 g/mol
Exact Mass498.32
IUPAC Name2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one
SMILESC.C.C.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.COC.CS(C)(=O)=O
InChIInChI=1S/C5H6F6.C5H12.C3H6O.C2H6O2S.C2H6O.3CH4/c1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;;;/h1-2H3;1-4H3;1-2H3;1-2H3;1-2H3;3*1H4
InChIKeyFWBVQIGAGBEPDK-UHFFFAOYSA-N
XLogP7.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one?
The IUPAC name of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one (CID 158159378) is 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one.
What is the SMILES notation for 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one?
The canonical SMILES for 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one is C.C.C.CC(C)(C(F)(F)F)C(F)(F)F.CC(C)(C)C.CC(C)=O.COC.CS(C)(=O)=O.
What is the InChIKey of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one?
The InChIKey is FWBVQIGAGBEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C5H12.C3H6O.C2H6O2S.C2H6O.3CH4/c1-3(2,4(6,7)8)5(9,10)11;1-5(2,3)4;1-3(2)4;1-5(2,3)4;1-3-2;;;/h1-2H3;1-4H3;1-2H3;1-2H3;1-2H3;3*1H4.
What are the key properties of 2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one?
2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one has a molecular weight of 498.66 g/mol, XLogP of 7.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 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;methane;methoxymethane;methylsulfonylmethane;propan-2-one is sourced from PubChem (CID 158159378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).