1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride

C4H2F8O3S — CID 164843738

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)CF
InChIInChI=1S/C4H2F8O3S/c5-1-2(6,7)15-3(8,9)4(10,11)16(12,13)14/h1H2
InChIKeyFZZSLYHGPMJIJF-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.05
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride (PubChem CID 164843738) has the molecular formula C4H2F8O3S and a molecular weight of 282.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride
PubChem CID164843738
Molecular FormulaC4H2F8O3S
Molecular Weight282.11 g/mol
Exact Mass281.96
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)CF
InChIInChI=1S/C4H2F8O3S/c5-1-2(6,7)15-3(8,9)4(10,11)16(12,13)14/h1H2
InChIKeyFZZSLYHGPMJIJF-UHFFFAOYSA-N
XLogP2.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride (CID 164843738) is 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(F)CF.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride?
The InChIKey is FZZSLYHGPMJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3S/c5-1-2(6,7)15-3(8,9)4(10,11)16(12,13)14/h1H2.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride has a molecular weight of 282.11 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 164843738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).