1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid

C10H2F12O6S2 — CID 118520299

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid (PubChem CID 118520299) has the molecular formula C10H2F12O6S2 and a molecular weight of 510.23 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid.

Molecular Properties

• Compound Name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid
• PubChem CID: 118520299
• Molecular Formula: C10H2F12O6S2
• Molecular Weight: 510.23 g/mol
• Exact Mass: 509.91
• IUPAC Name: 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)c1c(F)c(F)cc(F)c1F
• InChI: InChI=1S/C10H2F12O6S2/c11-2-1-3(12)5(14)6(4(2)13)29(23,24)9(19,20)7(15,16)28-8(17,18)10(21,22)30(25,26)27/h1H,(H,25,26,27)
• InChIKey: DFJPYVRLCIFCHQ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 97.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.23
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid?

The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid (CID 118520299) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid.

What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid?

The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)c1c(F)c(F)cc(F)c1F.

What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid?

The InChIKey is DFJPYVRLCIFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F12O6S2/c11-2-1-3(12)5(14)6(4(2)13)29(23,24)9(19,20)7(15,16)28-8(17,18)10(21,22)30(25,26)27/h1H,(H,25,26,27).

What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid?

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid has a molecular weight of 510.23 g/mol, XLogP of 3.29, 7 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-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonic acid is sourced from PubChem (CID 118520299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).