1-(trifluoromethylsulfonyl)ethane

C3H5F3O2S — CID 18551361

IUPAC1-(trifluoromethylsulfonyl)ethane
SMILESCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3O2S/c1-2-9(7,8)3(4,5)6/h2H2,1H3
InChIKeyAPIVKWBLJRMUDK-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.94
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)ethane

1-(trifluoromethylsulfonyl)ethane (PubChem CID 18551361) has the molecular formula C3H5F3O2S and a molecular weight of 162.13 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)ethane.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)ethane
PubChem CID18551361
Molecular FormulaC3H5F3O2S
Molecular Weight162.13 g/mol
Exact Mass162.00
IUPAC Name1-(trifluoromethylsulfonyl)ethane
SMILESCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H5F3O2S/c1-2-9(7,8)3(4,5)6/h2H2,1H3
InChIKeyAPIVKWBLJRMUDK-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)ethane?
The IUPAC name of 1-(trifluoromethylsulfonyl)ethane (CID 18551361) is 1-(trifluoromethylsulfonyl)ethane.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)ethane?
The canonical SMILES for 1-(trifluoromethylsulfonyl)ethane is CCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)ethane?
The InChIKey is APIVKWBLJRMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2S/c1-2-9(7,8)3(4,5)6/h2H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonyl)ethane?
1-(trifluoromethylsulfonyl)ethane has a molecular weight of 162.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)ethane is sourced from PubChem (CID 18551361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).