2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate

C7H8F8O6S2 — CID 87127868

IUPAC2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)C(F)F)OS(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F8O6S2/c1-3(21-23(18,19)7(14,15)5(10)11)2-20-22(16,17)6(12,13)4(8)9/h3-5H,2H2,1H3
InChIKeyHELRLTWHAGOPFX-UHFFFAOYSA-N
MW404.25 g/mol
LogP1.78
Rot. Bonds9

About 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate

2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 87127868) has the molecular formula C7H8F8O6S2 and a molecular weight of 404.25 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate
PubChem CID87127868
Molecular FormulaC7H8F8O6S2
Molecular Weight404.25 g/mol
Exact Mass403.96
IUPAC Name2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate
SMILESCC(COS(=O)(=O)C(F)(F)C(F)F)OS(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F8O6S2/c1-3(21-23(18,19)7(14,15)5(10)11)2-20-22(16,17)6(12,13)4(8)9/h3-5H,2H2,1H3
InChIKeyHELRLTWHAGOPFX-UHFFFAOYSA-N
XLogP1.78
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate (CID 87127868) is 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate is CC(COS(=O)(=O)C(F)(F)C(F)F)OS(=O)(=O)C(F)(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is HELRLTWHAGOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O6S2/c1-3(21-23(18,19)7(14,15)5(10)11)2-20-22(16,17)6(12,13)4(8)9/h3-5H,2H2,1H3.
What are the key properties of 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate?
2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 404.25 g/mol, XLogP of 1.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethylsulfonyloxy)propyl 1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 87127868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).