1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid

C10HF19O6S — CID 58445693

IUPAC1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C10HF19O6S/c11-1(12)2(13)33-7(22,23)3(14,5(16,17)18)34-8(24,25)4(15,6(19,20)21)35-9(26,27)10(28,29)36(30,31)32/h(H,30,31,32)
InChIKeyJTBAMYRKGFLYGC-UHFFFAOYSA-N
MW610.14 g/mol
LogP5.79
Rot. Bonds10

About 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid

1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid (PubChem CID 58445693) has the molecular formula C10HF19O6S and a molecular weight of 610.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
PubChem CID58445693
Molecular FormulaC10HF19O6S
Molecular Weight610.14 g/mol
Exact Mass609.92
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C10HF19O6S/c11-1(12)2(13)33-7(22,23)3(14,5(16,17)18)34-8(24,25)4(15,6(19,20)21)35-9(26,27)10(28,29)36(30,31)32/h(H,30,31,32)
InChIKeyJTBAMYRKGFLYGC-UHFFFAOYSA-N
XLogP5.79
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.14
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid (CID 58445693) is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid?
The InChIKey is JTBAMYRKGFLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF19O6S/c11-1(12)2(13)33-7(22,23)3(14,5(16,17)18)34-8(24,25)4(15,6(19,20)21)35-9(26,27)10(28,29)36(30,31)32/h(H,30,31,32).
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid?
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid has a molecular weight of 610.14 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid is sourced from PubChem (CID 58445693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).