1,1,1-trifluoro-2-methylsulfonylethane

C3H5F3O2S — CID 20513524

IUPAC1,1,1-trifluoro-2-methylsulfonylethane
SMILESCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3O2S/c1-9(7,8)2-3(4,5)6/h2H2,1H3
InChIKeyUIFYSCAAYYIATA-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.59
Rot. Bonds1

About 1,1,1-trifluoro-2-methylsulfonylethane

1,1,1-trifluoro-2-methylsulfonylethane (PubChem CID 20513524) has the molecular formula C3H5F3O2S and a molecular weight of 162.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methylsulfonylethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methylsulfonylethane
PubChem CID20513524
Molecular FormulaC3H5F3O2S
Molecular Weight162.13 g/mol
Exact Mass162.00
IUPAC Name1,1,1-trifluoro-2-methylsulfonylethane
SMILESCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3O2S/c1-9(7,8)2-3(4,5)6/h2H2,1H3
InChIKeyUIFYSCAAYYIATA-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methylsulfonylethane?
The IUPAC name of 1,1,1-trifluoro-2-methylsulfonylethane (CID 20513524) is 1,1,1-trifluoro-2-methylsulfonylethane.
What is the SMILES notation for 1,1,1-trifluoro-2-methylsulfonylethane?
The canonical SMILES for 1,1,1-trifluoro-2-methylsulfonylethane is CS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methylsulfonylethane?
The InChIKey is UIFYSCAAYYIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O2S/c1-9(7,8)2-3(4,5)6/h2H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-methylsulfonylethane?
1,1,1-trifluoro-2-methylsulfonylethane has a molecular weight of 162.13 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methylsulfonylethane is sourced from PubChem (CID 20513524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).