2-methyl-1-(trifluoromethylsulfonyl)propane

C5H9F3O2S — CID 58173347

IUPAC2-methyl-1-(trifluoromethylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3O2S/c1-4(2)3-11(9,10)5(6,7)8/h4H,3H2,1-2H3
InChIKeyZHRBKUIBVNZKET-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-1-(trifluoromethylsulfonyl)propane

2-methyl-1-(trifluoromethylsulfonyl)propane (PubChem CID 58173347) has the molecular formula C5H9F3O2S and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-methyl-1-(trifluoromethylsulfonyl)propane.

Molecular Properties

Compound Name2-methyl-1-(trifluoromethylsulfonyl)propane
PubChem CID58173347
Molecular FormulaC5H9F3O2S
Molecular Weight190.19 g/mol
Exact Mass190.03
IUPAC Name2-methyl-1-(trifluoromethylsulfonyl)propane
SMILESCC(C)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H9F3O2S/c1-4(2)3-11(9,10)5(6,7)8/h4H,3H2,1-2H3
InChIKeyZHRBKUIBVNZKET-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(trifluoromethylsulfonyl)propane?
The IUPAC name of 2-methyl-1-(trifluoromethylsulfonyl)propane (CID 58173347) is 2-methyl-1-(trifluoromethylsulfonyl)propane.
What is the SMILES notation for 2-methyl-1-(trifluoromethylsulfonyl)propane?
The canonical SMILES for 2-methyl-1-(trifluoromethylsulfonyl)propane is CC(C)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-(trifluoromethylsulfonyl)propane?
The InChIKey is ZHRBKUIBVNZKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2S/c1-4(2)3-11(9,10)5(6,7)8/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-1-(trifluoromethylsulfonyl)propane?
2-methyl-1-(trifluoromethylsulfonyl)propane has a molecular weight of 190.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(trifluoromethylsulfonyl)propane is sourced from PubChem (CID 58173347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).