3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide

C5H6F4O4S2 — CID 71111716

IUPAC3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H6F4O4S2/c6-4(1-2-14(10,11)3-4)15(12,13)5(7,8)9/h1-3H2
InChIKeyXWYOHULJXZRVMO-UHFFFAOYSA-N
MW270.23 g/mol
LogP0.41
Rot. Bonds1

About 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide

3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide (PubChem CID 71111716) has the molecular formula C5H6F4O4S2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide
PubChem CID71111716
Molecular FormulaC5H6F4O4S2
Molecular Weight270.23 g/mol
Exact Mass269.96
IUPAC Name3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(F)(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C5H6F4O4S2/c6-4(1-2-14(10,11)3-4)15(12,13)5(7,8)9/h1-3H2
InChIKeyXWYOHULJXZRVMO-UHFFFAOYSA-N
XLogP0.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide?
The IUPAC name of 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide (CID 71111716) is 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide is O=S1(=O)CCC(F)(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide?
The InChIKey is XWYOHULJXZRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O4S2/c6-4(1-2-14(10,11)3-4)15(12,13)5(7,8)9/h1-3H2.
What are the key properties of 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide?
3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide has a molecular weight of 270.23 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(trifluoromethylsulfonyl)thiolane 1,1-dioxide is sourced from PubChem (CID 71111716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).