1-(2,2-difluoroethylsulfonyl)-2-methylpropane

C6H12F2O2S — CID 130290256

IUPAC1-(2,2-difluoroethylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)CC(F)F
InChIInChI=1S/C6H12F2O2S/c1-5(2)3-11(9,10)4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyUHKZOKRIZDBVCP-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.32
Rot. Bonds4

About 1-(2,2-difluoroethylsulfonyl)-2-methylpropane

1-(2,2-difluoroethylsulfonyl)-2-methylpropane (PubChem CID 130290256) has the molecular formula C6H12F2O2S and a molecular weight of 186.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name1-(2,2-difluoroethylsulfonyl)-2-methylpropane
PubChem CID130290256
Molecular FormulaC6H12F2O2S
Molecular Weight186.22 g/mol
Exact Mass186.05
IUPAC Name1-(2,2-difluoroethylsulfonyl)-2-methylpropane
SMILESCC(C)CS(=O)(=O)CC(F)F
InChIInChI=1S/C6H12F2O2S/c1-5(2)3-11(9,10)4-6(7)8/h5-6H,3-4H2,1-2H3
InChIKeyUHKZOKRIZDBVCP-UHFFFAOYSA-N
XLogP1.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylsulfonyl)-2-methylpropane?
The IUPAC name of 1-(2,2-difluoroethylsulfonyl)-2-methylpropane (CID 130290256) is 1-(2,2-difluoroethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 1-(2,2-difluoroethylsulfonyl)-2-methylpropane?
The canonical SMILES for 1-(2,2-difluoroethylsulfonyl)-2-methylpropane is CC(C)CS(=O)(=O)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethylsulfonyl)-2-methylpropane?
The InChIKey is UHKZOKRIZDBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2S/c1-5(2)3-11(9,10)4-6(7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethylsulfonyl)-2-methylpropane?
1-(2,2-difluoroethylsulfonyl)-2-methylpropane has a molecular weight of 186.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 130290256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).