fluoro 1,1-difluoroethanesulfonate

C2H3F3O3S — CID 56995313

IUPACfluoro 1,1-difluoroethanesulfonate
SMILESCC(F)(F)S(=O)(=O)OF
InChIInChI=1S/C2H3F3O3S/c1-2(3,4)9(6,7)8-5/h1H3
InChIKeyGXUGMMRKIGAYFI-UHFFFAOYSA-N
MW164.10 g/mol
LogP0.83
Rot. Bonds2

About fluoro 1,1-difluoroethanesulfonate

fluoro 1,1-difluoroethanesulfonate (PubChem CID 56995313) has the molecular formula C2H3F3O3S and a molecular weight of 164.10 g/mol. Its IUPAC name is fluoro 1,1-difluoroethanesulfonate.

Molecular Properties

Compound Namefluoro 1,1-difluoroethanesulfonate
PubChem CID56995313
Molecular FormulaC2H3F3O3S
Molecular Weight164.10 g/mol
Exact Mass163.98
IUPAC Namefluoro 1,1-difluoroethanesulfonate
SMILESCC(F)(F)S(=O)(=O)OF
InChIInChI=1S/C2H3F3O3S/c1-2(3,4)9(6,7)8-5/h1H3
InChIKeyGXUGMMRKIGAYFI-UHFFFAOYSA-N
XLogP0.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.10
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,1-difluoroethanesulfonate?
The IUPAC name of fluoro 1,1-difluoroethanesulfonate (CID 56995313) is fluoro 1,1-difluoroethanesulfonate.
What is the SMILES notation for fluoro 1,1-difluoroethanesulfonate?
The canonical SMILES for fluoro 1,1-difluoroethanesulfonate is CC(F)(F)S(=O)(=O)OF.
What is the InChIKey of fluoro 1,1-difluoroethanesulfonate?
The InChIKey is GXUGMMRKIGAYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O3S/c1-2(3,4)9(6,7)8-5/h1H3.
What are the key properties of fluoro 1,1-difluoroethanesulfonate?
fluoro 1,1-difluoroethanesulfonate has a molecular weight of 164.10 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1-difluoroethanesulfonate is sourced from PubChem (CID 56995313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).