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

C3HF5O5S — CID 126494242

IUPACdifluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OOC(F)=C(F)F
InChIInChI=1S/C3HF5O5S/c4-1(5)2(6)12-13-3(7,8)14(9,10)11/h(H,9,10,11)
InChIKeyVPUYOCDWUBSGSR-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.41
Rot. Bonds4

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

difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid (PubChem CID 126494242) has the molecular formula C3HF5O5S and a molecular weight of 244.09 g/mol. Its IUPAC name is difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid.

Molecular Properties

Compound Namedifluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid
PubChem CID126494242
Molecular FormulaC3HF5O5S
Molecular Weight244.09 g/mol
Exact Mass243.95
IUPAC Namedifluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OOC(F)=C(F)F
InChIInChI=1S/C3HF5O5S/c4-1(5)2(6)12-13-3(7,8)14(9,10)11/h(H,9,10,11)
InChIKeyVPUYOCDWUBSGSR-UHFFFAOYSA-N
XLogP1.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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'}

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Frequently Asked Questions

What is the IUPAC name of difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid?
The IUPAC name of difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid (CID 126494242) is difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid.
What is the SMILES notation for difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid?
The canonical SMILES for difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid is O=S(=O)(O)C(F)(F)OOC(F)=C(F)F.
What is the InChIKey of difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid?
The InChIKey is VPUYOCDWUBSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O5S/c4-1(5)2(6)12-13-3(7,8)14(9,10)11/h(H,9,10,11).
What are the key properties of difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid?
difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid has a molecular weight of 244.09 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,2,2-trifluoroethenylperoxy)methanesulfonic acid is sourced from PubChem (CID 126494242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).