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

C6H12F2O2S — CID 59677436

IUPAC2-(1,1-difluoroethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H12F2O2S/c1-5(2,3)11(9,10)6(4,7)8/h1-4H3
InChIKeyOYLROJDKWOWJGO-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.81
Rot. Bonds1

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

2-(1,1-difluoroethylsulfonyl)-2-methylpropane (PubChem CID 59677436) has the molecular formula C6H12F2O2S and a molecular weight of 186.22 g/mol. Its IUPAC name is 2-(1,1-difluoroethylsulfonyl)-2-methylpropane.

Molecular Properties

Compound Name2-(1,1-difluoroethylsulfonyl)-2-methylpropane
PubChem CID59677436
Molecular FormulaC6H12F2O2S
Molecular Weight186.22 g/mol
Exact Mass186.05
IUPAC Name2-(1,1-difluoroethylsulfonyl)-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)C(C)(F)F
InChIInChI=1S/C6H12F2O2S/c1-5(2,3)11(9,10)6(4,7)8/h1-4H3
InChIKeyOYLROJDKWOWJGO-UHFFFAOYSA-N
XLogP1.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)-2-methylpropane
CID 13623874
2-(Fluoromethylsulfonyl)-2-methylpropane
CID 13440979
1-(2,2,2-Trifluoroethylsulfonyl)butane
CID 13096090
Trifluoromethyl 2-methylpropane-2-sulfonate
CID 14681965
2-(2,2,2-Trifluoroethylsulfonyl)butane
CID 20811122
2-Methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
CID 22958646
2-Methyl-2-(trifluoromethylsulfonyl)propane
CID 23615104
1,1,1-Trifluoro-2-(1,1,1-trifluoropropan-2-ylsulfonyl)propane
CID 53817320
2-Methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
CID 58815018
2-(Difluoromethylsulfonyl)propane
CID 58917784
3-Ethylsulfonyl-1,1,1-trifluoropropane
CID 59155294
2-(2,2,2-Trifluoroethylsulfonyl)propane
CID 59677483

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethylsulfonyl)-2-methylpropane?
The IUPAC name of 2-(1,1-difluoroethylsulfonyl)-2-methylpropane (CID 59677436) is 2-(1,1-difluoroethylsulfonyl)-2-methylpropane.
What is the SMILES notation for 2-(1,1-difluoroethylsulfonyl)-2-methylpropane?
The canonical SMILES for 2-(1,1-difluoroethylsulfonyl)-2-methylpropane is CC(C)(C)S(=O)(=O)C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethylsulfonyl)-2-methylpropane?
The InChIKey is OYLROJDKWOWJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2S/c1-5(2,3)11(9,10)6(4,7)8/h1-4H3.
What are the key properties of 2-(1,1-difluoroethylsulfonyl)-2-methylpropane?
2-(1,1-difluoroethylsulfonyl)-2-methylpropane has a molecular weight of 186.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethylsulfonyl)-2-methylpropane is sourced from PubChem (CID 59677436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).