2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane

C6H11F3O2S — CID 22958646

IUPAC2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
SMILESCC(C)(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2,3)12(10,11)4-6(7,8)9/h4H2,1-3H3
InChIKeyLBJHRZBIKGWMSR-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.76
Rot. Bonds1

About 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane

2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane (PubChem CID 22958646) has the molecular formula C6H11F3O2S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
PubChem CID22958646
Molecular FormulaC6H11F3O2S
Molecular Weight204.21 g/mol
Exact Mass204.04
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane
SMILESCC(C)(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2,3)12(10,11)4-6(7,8)9/h4H2,1-3H3
InChIKeyLBJHRZBIKGWMSR-UHFFFAOYSA-N
XLogP1.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Ethylsulphonyl)-2-methylpropane
CID 141865
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)-2-methylpropane
CID 13623874
1-Butyl trifluormethyl sulfone
CID 3744093
Trifluoromethyl propyl sulfone
CID 54326780
1,1,1-Trifluoro-3-(methanesulfonyl)propane
CID 71356948
Diethyl(methyl)sulfanium;trifluoromethanesulfonate
CID 87357053
[Diethyl(methyl)-lambda4-sulfanyl] trifluoromethanesulfonate
CID 89251534
2-(Fluoromethylsulfonyl)-2-methylpropane
CID 13440979
1-(Trifluoromethylsulfonyl)butane
CID 155936513
1-(2,2,2-Trifluoroethylsulfonyl)butane
CID 13096090
2-Ethylsulfonyl-1,1,1-trifluoroethane
CID 17887963
3-Methyl-1-(trifluoromethylsulfonyl)butane
CID 20755085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane (CID 22958646) is 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane is CC(C)(C)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane?
The InChIKey is LBJHRZBIKGWMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2S/c1-5(2,3)12(10,11)4-6(7,8)9/h4H2,1-3H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane?
2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane has a molecular weight of 204.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propane is sourced from PubChem (CID 22958646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).