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

C3H2F6O4S — CID 121422749

IUPACdifluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F6O4S/c4-1(5)2(6,7)13-3(8,9)14(10,11)12/h1H,(H,10,11,12)
InChIKeyQRQWHKPEXKBUDR-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.30
Rot. Bonds4

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

difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid (PubChem CID 121422749) has the molecular formula C3H2F6O4S and a molecular weight of 248.10 g/mol. Its IUPAC name is difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid
PubChem CID121422749
Molecular FormulaC3H2F6O4S
Molecular Weight248.10 g/mol
Exact Mass247.96
IUPAC Namedifluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F6O4S/c4-1(5)2(6,7)13-3(8,9)14(10,11)12/h1H,(H,10,11,12)
InChIKeyQRQWHKPEXKBUDR-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.30
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

4-Difluoromethyl-perfluoro-3-oxabutanesulfonic acid
CID 13033409
Difluoro(1,1,2,2,2-pentafluoroethoxy)methanesulfonic acid
CID 22568730
1,2,2-Trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
CID 53261446
1,1-Difluoroethoxy(difluoro)methanesulfonic acid
CID 58214195
1,1,2-Trifluoroethanol;trifluoromethanesulfonic acid
CID 86640107
1,1,2-Trifluoro-2-(trifluoromethoxy)ethane-1-sulfonic acid
CID 87095933
1,2,2,2-Tetrafluoroethoxymethanesulfonic acid
CID 124193387
1,1,2,2-Tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonic acid
CID 141663447

Frequently Asked Questions

What is the IUPAC name of difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid?
The IUPAC name of difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid (CID 121422749) is difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid?
The canonical SMILES for difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid?
The InChIKey is QRQWHKPEXKBUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O4S/c4-1(5)2(6,7)13-3(8,9)14(10,11)12/h1H,(H,10,11,12).
What are the key properties of difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid?
difluoro(1,1,2,2-tetrafluoroethoxy)methanesulfonic acid has a molecular weight of 248.10 g/mol, XLogP of 1.30, 4 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-tetrafluoroethoxy)methanesulfonic acid is sourced from PubChem (CID 121422749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).