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

C7H2F14O5S — CID 138395264

IUPAC1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-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)(F)C(F)F
InChIInChI=1S/C7H2F14O5S/c8-1(9)2(10,11)25-5(16,17)3(12,4(13,14)15)26-6(18,19)7(20,21)27(22,23)24/h1H,(H,22,23,24)
InChIKeyAMJITZIMZIPWMJ-UHFFFAOYSA-N
MW464.13 g/mol
LogP3.77
Rot. Bonds8

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

1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid (PubChem CID 138395264) has the molecular formula C7H2F14O5S and a molecular weight of 464.13 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid
PubChem CID138395264
Molecular FormulaC7H2F14O5S
Molecular Weight464.13 g/mol
Exact Mass463.94
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-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)(F)C(F)F
InChIInChI=1S/C7H2F14O5S/c8-1(9)2(10,11)25-5(16,17)3(12,4(13,14)15)26-6(18,19)7(20,21)27(22,23)24/h1H,(H,22,23,24)
InChIKeyAMJITZIMZIPWMJ-UHFFFAOYSA-N
XLogP3.77
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.13
LogP ≤ 53.77
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 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic 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 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid (CID 138395264) is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-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)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid?
The InChIKey is AMJITZIMZIPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F14O5S/c8-1(9)2(10,11)25-5(16,17)3(12,4(13,14)15)26-6(18,19)7(20,21)27(22,23)24/h1H,(H,22,23,24).
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid?
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid has a molecular weight of 464.13 g/mol, XLogP of 3.77, 8 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-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid is sourced from PubChem (CID 138395264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).