difluoro(fluoromethoxy)methanesulfonic acid

C2H3F3O4S — CID 126576986

IUPACdifluoro(fluoromethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OCF
InChIInChI=1S/C2H3F3O4S/c3-1-9-2(4,5)10(6,7)8/h1H2,(H,6,7,8)
InChIKeyQKDZXEBLMUOXEX-UHFFFAOYSA-N
MW180.10 g/mol
LogP0.37
Rot. Bonds3

About difluoro(fluoromethoxy)methanesulfonic acid

difluoro(fluoromethoxy)methanesulfonic acid (PubChem CID 126576986) has the molecular formula C2H3F3O4S and a molecular weight of 180.10 g/mol. Its IUPAC name is difluoro(fluoromethoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(fluoromethoxy)methanesulfonic acid
PubChem CID126576986
Molecular FormulaC2H3F3O4S
Molecular Weight180.10 g/mol
Exact Mass179.97
IUPAC Namedifluoro(fluoromethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OCF
InChIInChI=1S/C2H3F3O4S/c3-1-9-2(4,5)10(6,7)8/h1H2,(H,6,7,8)
InChIKeyQKDZXEBLMUOXEX-UHFFFAOYSA-N
XLogP0.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]ethanesulfonic acid
CID 129070340
difluoro-[(3-hydroxy-1-adamantyl)methoxy]methanesulfonic acid
CID 123877041
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889

Frequently Asked Questions

What is the IUPAC name of difluoro(fluoromethoxy)methanesulfonic acid?
The IUPAC name of difluoro(fluoromethoxy)methanesulfonic acid (CID 126576986) is difluoro(fluoromethoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(fluoromethoxy)methanesulfonic acid?
The canonical SMILES for difluoro(fluoromethoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OCF.
What is the InChIKey of difluoro(fluoromethoxy)methanesulfonic acid?
The InChIKey is QKDZXEBLMUOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O4S/c3-1-9-2(4,5)10(6,7)8/h1H2,(H,6,7,8).
What are the key properties of difluoro(fluoromethoxy)methanesulfonic acid?
difluoro(fluoromethoxy)methanesulfonic acid has a molecular weight of 180.10 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(fluoromethoxy)methanesulfonic acid is sourced from PubChem (CID 126576986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).