2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane

C6H11F3O2S — CID 58815018

IUPAC2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2)3-12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyVJMGVNWMVWRGSI-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane

2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane (PubChem CID 58815018) has the molecular formula C6H11F3O2S and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
PubChem CID58815018
Molecular FormulaC6H11F3O2S
Molecular Weight204.21 g/mol
Exact Mass204.04
IUPAC Name2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C6H11F3O2S/c1-5(2)3-12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyVJMGVNWMVWRGSI-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.62
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
1-Butyl trifluormethyl sulfone
CID 3744093
Trifluoromethyl propyl sulfone
CID 54326780
3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
1,1,1-Trifluoro-3-(methanesulfonyl)propane
CID 71356948
Ethyl isobutyl sulfone
CID 824011
1-(Trifluoromethylsulfonyl)butane
CID 155936513
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
1-(2,2,2-Trifluoroethylsulfonyl)butane
CID 13096090
5-Butylsulfonyl-1,1,1,2,2-pentafluoropentane
CID 17869462
3-Methyl-1-(trifluoromethylsulfonyl)butane
CID 20755085
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylsulfonyl)butane
CID 20811120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane (CID 58815018) is 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane is CC(C)CS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane?
The InChIKey is VJMGVNWMVWRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2S/c1-5(2)3-12(10,11)4-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane?
2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane has a molecular weight of 204.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethylsulfonyl)propane is sourced from PubChem (CID 58815018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).