difluoro(propanoyloxy)methanesulfonic acid

C4H6F2O5S — CID 118696010

IUPACdifluoro(propanoyloxy)methanesulfonic acid
SMILESCCC(=O)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H6F2O5S/c1-2-3(7)11-4(5,6)12(8,9)10/h2H2,1H3,(H,8,9,10)
InChIKeyDXKAPATVHUKRFI-UHFFFAOYSA-N
MW204.15 g/mol
LogP0.38
Rot. Bonds3

About difluoro(propanoyloxy)methanesulfonic acid

difluoro(propanoyloxy)methanesulfonic acid (PubChem CID 118696010) has the molecular formula C4H6F2O5S and a molecular weight of 204.15 g/mol. Its IUPAC name is difluoro(propanoyloxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(propanoyloxy)methanesulfonic acid
PubChem CID118696010
Molecular FormulaC4H6F2O5S
Molecular Weight204.15 g/mol
Exact Mass203.99
IUPAC Namedifluoro(propanoyloxy)methanesulfonic acid
SMILESCCC(=O)OC(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H6F2O5S/c1-2-3(7)11-4(5,6)12(8,9)10/h2H2,1H3,(H,8,9,10)
InChIKeyDXKAPATVHUKRFI-UHFFFAOYSA-N
XLogP0.38
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro(propanoyloxy)methanesulfonic acid?
The IUPAC name of difluoro(propanoyloxy)methanesulfonic acid (CID 118696010) is difluoro(propanoyloxy)methanesulfonic acid.
What is the SMILES notation for difluoro(propanoyloxy)methanesulfonic acid?
The canonical SMILES for difluoro(propanoyloxy)methanesulfonic acid is CCC(=O)OC(F)(F)S(=O)(=O)O.
What is the InChIKey of difluoro(propanoyloxy)methanesulfonic acid?
The InChIKey is DXKAPATVHUKRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O5S/c1-2-3(7)11-4(5,6)12(8,9)10/h2H2,1H3,(H,8,9,10).
What are the key properties of difluoro(propanoyloxy)methanesulfonic acid?
difluoro(propanoyloxy)methanesulfonic acid has a molecular weight of 204.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(propanoyloxy)methanesulfonic acid is sourced from PubChem (CID 118696010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).