1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid

C4HF7O4S — CID 11781540

IUPAC1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O4S/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14/h(H,12,13,14)
InChIKeyBSJWZISVMPPTAG-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.11
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid (PubChem CID 11781540) has the molecular formula C4HF7O4S and a molecular weight of 278.10 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
PubChem CID11781540
Molecular FormulaC4HF7O4S
Molecular Weight278.10 g/mol
Exact Mass277.95
IUPAC Name1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C4HF7O4S/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14/h(H,12,13,14)
InChIKeyBSJWZISVMPPTAG-UHFFFAOYSA-N
XLogP2.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Perfluoro(2-ethoxyethane)sulfonic acid
CID 2776108
(Trifluorovinyl)tetrafluoroethylsulfonyl fluoride
CID 11161794
1,1,2,2-Tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
CID 44153897
Perfluoro-2-(trifluoromethoxy)ethanesulfonic acid
CID 20758409
4-(Perfluoromethoxy)perfluorobutane sulfonic acid
CID 139596091
Oxa-PFSAs(n3)
CID 139597355
2,2'-Oxybis(tetrafluoroethane-1-sulfonic acid)
CID 13581593
Ethanesulfonyl chloride, 1,1,2,2-tetrafluoro-2-[(trifluoroethenyl)oxy]-
CID 11594551
1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-2-sulfinoethoxy)ethanesulfonic acid
CID 13231618
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethoxy]ethanesulfonic acid
CID 22568732
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
CID 22568744
1,1,2,2,3,3-Hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]propoxy]propane-1-sulfonic acid
CID 22568750

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid (CID 11781540) is 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
The InChIKey is BSJWZISVMPPTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O4S/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14/h(H,12,13,14).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid has a molecular weight of 278.10 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid is sourced from PubChem (CID 11781540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).