ethylsulfonyl 2,2,2-trifluoroethanesulfonate

C4H7F3O5S2 — CID 149163063

IUPACethylsulfonyl 2,2,2-trifluoroethanesulfonate
SMILESCCS(=O)(=O)OS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H7F3O5S2/c1-2-13(8,9)12-14(10,11)3-4(5,6)7/h2-3H2,1H3
InChIKeyCXIOAMCWWXKWIR-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.24
Rot. Bonds4

About ethylsulfonyl 2,2,2-trifluoroethanesulfonate

ethylsulfonyl 2,2,2-trifluoroethanesulfonate (PubChem CID 149163063) has the molecular formula C4H7F3O5S2 and a molecular weight of 256.22 g/mol. Its IUPAC name is ethylsulfonyl 2,2,2-trifluoroethanesulfonate.

Molecular Properties

Compound Nameethylsulfonyl 2,2,2-trifluoroethanesulfonate
PubChem CID149163063
Molecular FormulaC4H7F3O5S2
Molecular Weight256.22 g/mol
Exact Mass255.97
IUPAC Nameethylsulfonyl 2,2,2-trifluoroethanesulfonate
SMILESCCS(=O)(=O)OS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H7F3O5S2/c1-2-13(8,9)12-14(10,11)3-4(5,6)7/h2-3H2,1H3
InChIKeyCXIOAMCWWXKWIR-UHFFFAOYSA-N
XLogP0.24
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The IUPAC name of ethylsulfonyl 2,2,2-trifluoroethanesulfonate (CID 149163063) is ethylsulfonyl 2,2,2-trifluoroethanesulfonate.
What is the SMILES notation for ethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The canonical SMILES for ethylsulfonyl 2,2,2-trifluoroethanesulfonate is CCS(=O)(=O)OS(=O)(=O)CC(F)(F)F.
What is the InChIKey of ethylsulfonyl 2,2,2-trifluoroethanesulfonate?
The InChIKey is CXIOAMCWWXKWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O5S2/c1-2-13(8,9)12-14(10,11)3-4(5,6)7/h2-3H2,1H3.
What are the key properties of ethylsulfonyl 2,2,2-trifluoroethanesulfonate?
ethylsulfonyl 2,2,2-trifluoroethanesulfonate has a molecular weight of 256.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonyl 2,2,2-trifluoroethanesulfonate is sourced from PubChem (CID 149163063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).