1,1,2-trifluoro-2-sulfonylethane

C2HF3O2S — CID 91381301

IUPAC1,1,2-trifluoro-2-sulfonylethane
SMILESO=S(=O)=C(F)C(F)F
InChIInChI=1S/C2HF3O2S/c3-1(4)2(5)8(6)7/h1H
InChIKeyKWBVYZVNQUFCTM-UHFFFAOYSA-N
MW146.09 g/mol
LogP0.23
Rot. Bonds1

About 1,1,2-trifluoro-2-sulfonylethane

1,1,2-trifluoro-2-sulfonylethane (PubChem CID 91381301) has the molecular formula C2HF3O2S and a molecular weight of 146.09 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-sulfonylethane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-sulfonylethane
PubChem CID91381301
Molecular FormulaC2HF3O2S
Molecular Weight146.09 g/mol
Exact Mass145.96
IUPAC Name1,1,2-trifluoro-2-sulfonylethane
SMILESO=S(=O)=C(F)C(F)F
InChIInChI=1S/C2HF3O2S/c3-1(4)2(5)8(6)7/h1H
InChIKeyKWBVYZVNQUFCTM-UHFFFAOYSA-N
XLogP0.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-sulfonylethane?
The IUPAC name of 1,1,2-trifluoro-2-sulfonylethane (CID 91381301) is 1,1,2-trifluoro-2-sulfonylethane.
What is the SMILES notation for 1,1,2-trifluoro-2-sulfonylethane?
The canonical SMILES for 1,1,2-trifluoro-2-sulfonylethane is O=S(=O)=C(F)C(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-sulfonylethane?
The InChIKey is KWBVYZVNQUFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2S/c3-1(4)2(5)8(6)7/h1H.
What are the key properties of 1,1,2-trifluoro-2-sulfonylethane?
1,1,2-trifluoro-2-sulfonylethane has a molecular weight of 146.09 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-sulfonylethane is sourced from PubChem (CID 91381301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).