1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid

C6HF11O5S — CID 59652974

IUPAC1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O5S/c7-1(8)2(9)21-6(17,3(10,11)12)22-4(13,14)5(15,16)23(18,19)20/h(H,18,19,20)
InChIKeyHJKPCONEKVWWCI-UHFFFAOYSA-N
MW394.11 g/mol
LogP3.31
Rot. Bonds6

About 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid

1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid (PubChem CID 59652974) has the molecular formula C6HF11O5S and a molecular weight of 394.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
PubChem CID59652974
Molecular FormulaC6HF11O5S
Molecular Weight394.11 g/mol
Exact Mass393.94
IUPAC Name1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O5S/c7-1(8)2(9)21-6(17,3(10,11)12)22-4(13,14)5(15,16)23(18,19)20/h(H,18,19,20)
InChIKeyHJKPCONEKVWWCI-UHFFFAOYSA-N
XLogP3.31
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid (CID 59652974) is 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(OC(F)=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
The InChIKey is HJKPCONEKVWWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O5S/c7-1(8)2(9)21-6(17,3(10,11)12)22-4(13,14)5(15,16)23(18,19)20/h(H,18,19,20).
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid has a molecular weight of 394.11 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethoxy]ethanesulfonic acid is sourced from PubChem (CID 59652974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).