difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid

C5H2F10O5S — CID 20767477

IUPACdifluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C5H2F10O5S/c6-1(2(7,8)9)19-3(10,11)4(12,13)20-5(14,15)21(16,17)18/h1H,(H,16,17,18)
InChIKeyDYKOCQNNYNXYFT-UHFFFAOYSA-N
MW364.11 g/mol
LogP2.50
Rot. Bonds6

About difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid

difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid (PubChem CID 20767477) has the molecular formula C5H2F10O5S and a molecular weight of 364.11 g/mol. Its IUPAC name is difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid.

Molecular Properties

Compound Namedifluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid
PubChem CID20767477
Molecular FormulaC5H2F10O5S
Molecular Weight364.11 g/mol
Exact Mass363.95
IUPAC Namedifluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C5H2F10O5S/c6-1(2(7,8)9)19-3(10,11)4(12,13)20-5(14,15)21(16,17)18/h1H,(H,16,17,18)
InChIKeyDYKOCQNNYNXYFT-UHFFFAOYSA-N
XLogP2.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid?
The IUPAC name of difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid (CID 20767477) is difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid.
What is the SMILES notation for difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid?
The canonical SMILES for difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid is O=S(=O)(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid?
The InChIKey is DYKOCQNNYNXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O5S/c6-1(2(7,8)9)19-3(10,11)4(12,13)20-5(14,15)21(16,17)18/h1H,(H,16,17,18).
What are the key properties of difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid?
difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid has a molecular weight of 364.11 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]methanesulfonic acid is sourced from PubChem (CID 20767477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).