[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid

C2H2F4O7S2 — CID 58819220

IUPAC[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)SOOO
InChIInChI=1S/C2H2F4O7S2/c3-1(4,14-13-12-7)11-2(5,6)15(8,9)10/h7H,(H,8,9,10)
InChIKeyDMHAUBWJJTWTKS-UHFFFAOYSA-N
MW278.16 g/mol
LogP1.06
Rot. Bonds6

About [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid

[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid (PubChem CID 58819220) has the molecular formula C2H2F4O7S2 and a molecular weight of 278.16 g/mol. Its IUPAC name is [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid.

Molecular Properties

Compound Name[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid
PubChem CID58819220
Molecular FormulaC2H2F4O7S2
Molecular Weight278.16 g/mol
Exact Mass277.92
IUPAC Name[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)SOOO
InChIInChI=1S/C2H2F4O7S2/c3-1(4,14-13-12-7)11-2(5,6)15(8,9)10/h7H,(H,8,9,10)
InChIKeyDMHAUBWJJTWTKS-UHFFFAOYSA-N
XLogP1.06
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethoxy]ethyl]cyclohexyl]ethoxy]ethanesulfonic acid
CID 58616489
1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
CID 59833728
1,1,2,2-tetrafluoro-2-[4-oxo-4-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethoxy]butanoyl]oxyethanesulfonic acid
CID 58616413
1,1,1,2,2,3,4,4,4-nonafluoro-3-(trioxidanylsulfanyl)butane
CID 59383760
2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethoxy]decoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
CID 58616475
difluoro(fluoromethoxy)methanesulfonic acid
CID 126576986
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
trifluoromethanesulfonic acid;zinc
CID 45051803
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701

Frequently Asked Questions

What is the IUPAC name of [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid?
The IUPAC name of [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid (CID 58819220) is [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid.
What is the SMILES notation for [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid?
The canonical SMILES for [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)SOOO.
What is the InChIKey of [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid?
The InChIKey is DMHAUBWJJTWTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O7S2/c3-1(4,14-13-12-7)11-2(5,6)15(8,9)10/h7H,(H,8,9,10).
What are the key properties of [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid?
[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid has a molecular weight of 278.16 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid is sourced from PubChem (CID 58819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).