4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide

C4H5F3O6S2 — CID 89314046

IUPAC4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(CS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C4H5F3O6S2/c5-4(6,7)14(8,9)2-3-1-12-15(10,11)13-3/h3H,1-2H2
InChIKeyYPVCYKVCWISPPP-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.42
Rot. Bonds2

About 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide

4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 89314046) has the molecular formula C4H5F3O6S2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID89314046
Molecular FormulaC4H5F3O6S2
Molecular Weight270.21 g/mol
Exact Mass269.95
IUPAC Name4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(CS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C4H5F3O6S2/c5-4(6,7)14(8,9)2-3-1-12-15(10,11)13-3/h3H,1-2H2
InChIKeyYPVCYKVCWISPPP-UHFFFAOYSA-N
XLogP-0.42
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 89314046) is 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)OCC(CS(=O)(=O)C(F)(F)F)O1.
What is the InChIKey of 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is YPVCYKVCWISPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O6S2/c5-4(6,7)14(8,9)2-3-1-12-15(10,11)13-3/h3H,1-2H2.
What are the key properties of 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 270.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonylmethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 89314046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).