[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid

C2H2F4O7S2 — CID 90380791

IUPAC[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C2H2F4O7S2/c3-1(4,14(7,8)9)13-2(5,6)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyXCCLOMCUUFQFNE-UHFFFAOYSA-N
MW278.16 g/mol
LogP-0.12
Rot. Bonds4

About [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid

[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid (PubChem CID 90380791) has the molecular formula C2H2F4O7S2 and a molecular weight of 278.16 g/mol. Its IUPAC name is [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid.

Molecular Properties

Compound Name[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid
PubChem CID90380791
Molecular FormulaC2H2F4O7S2
Molecular Weight278.16 g/mol
Exact Mass277.92
IUPAC Name[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C2H2F4O7S2/c3-1(4,14(7,8)9)13-2(5,6)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyXCCLOMCUUFQFNE-UHFFFAOYSA-N
XLogP-0.12
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trifluoromethanesulfonic acid--manganese (2/1)
CID 92004361
(Trifluoromethanesulfonyloxy)zincio trifluoromethanesulfonate
CID 11035872
Bis(((trifluoromethyl)sulfonyl)oxy)copper
CID 11810555
lambda2-Iron(2+) ion ditrifluoromethanesulfonate
CID 60145907
Nickel;bis(trifluoromethanesulfonic acid)
CID 11002798
Oxovanadium;bis(trifluoromethanesulfonic acid)
CID 11485339
Manganese triflate
CID 71310933
Trifluoromethanesulfonate;trifluoromethanesulfonic acid;ZINC
CID 138983544
Trifluoromethanesulfonic acid;trifluoromethanesulfonyl chloride
CID 20184462
CID 22218971
CID 22218971
Difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
CID 22568730
Titanium;bis(trifluoromethanesulfonic acid)
CID 50910904

Frequently Asked Questions

What is the IUPAC name of [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid?
The IUPAC name of [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid (CID 90380791) is [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid.
What is the SMILES notation for [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid?
The canonical SMILES for [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)S(=O)(=O)O.
What is the InChIKey of [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid?
The InChIKey is XCCLOMCUUFQFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O7S2/c3-1(4,14(7,8)9)13-2(5,6)15(10,11)12/h(H,7,8,9)(H,10,11,12).
What are the key properties of [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid?
[difluoro(sulfo)methoxy]-difluoromethanesulfonic acid has a molecular weight of 278.16 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(sulfo)methoxy]-difluoromethanesulfonic acid is sourced from PubChem (CID 90380791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).