difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid

C3HF7O4S — CID 22568730

IUPACdifluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(5,6)2(7,8)14-3(9,10)15(11,12)13/h(H,11,12,13)
InChIKeyCRXCJCHFWGLUBT-UHFFFAOYSA-N
MW266.09 g/mol
LogP1.60
Rot. Bonds3

About difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid

difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid (PubChem CID 22568730) has the molecular formula C3HF7O4S and a molecular weight of 266.09 g/mol. Its IUPAC name is difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
PubChem CID22568730
Molecular FormulaC3HF7O4S
Molecular Weight266.09 g/mol
Exact Mass265.95
IUPAC Namedifluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(5,6)2(7,8)14-3(9,10)15(11,12)13/h(H,11,12,13)
InChIKeyCRXCJCHFWGLUBT-UHFFFAOYSA-N
XLogP1.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Perfluoro-2-(trifluoromethoxy)ethanesulfonic acid
CID 20758409
OPFLSA_i n=1
CID 139596109
Perfluoroethane ether sulfonate
CID 18683175
1,2,2,2-Tetrafluoro-1-(trifluoromethoxy)ethanesulfonic acid
CID 53916834
[Difluoro(sulfo)methoxy]-difluoromethanesulfonic acid
CID 90380791
Hydrogen-substituted Perfluoro Ether butane sulfonic acid
CID 121422749
Difluoro(1,2,2-trifluoroethenoxyperoxy)methanesulfonic acid
CID 126494240
Difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid
CID 126494242
Trifluoromethanesulfonic acid;trifluoro(trifluoromethoxy)methane
CID 160145140
Lithium;hydride;1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanesulfonic acid
CID 173518077
Difluoro(1,2,2-trifluoroethenoxy)methanesulfonic acid
CID 163324908
Difluoro(trifluoromethoxy)methanesulfonic acid
CID 165363144

Frequently Asked Questions

What is the IUPAC name of difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid?
The IUPAC name of difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid (CID 22568730) is difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid?
The canonical SMILES for difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid?
The InChIKey is CRXCJCHFWGLUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O4S/c4-1(5,6)2(7,8)14-3(9,10)15(11,12)13/h(H,11,12,13).
What are the key properties of difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid?
difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid has a molecular weight of 266.09 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid is sourced from PubChem (CID 22568730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).