[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate

C5H2F10O4S — CID 54412373

IUPAC[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate
SMILESO=S(=O)(OC(F)(F)C(F)(F)OC(F)(F)CF)C(F)(F)F
InChIInChI=1S/C5H2F10O4S/c6-1-2(7,8)18-3(9,10)4(11,12)19-20(16,17)5(13,14)15/h1H2
InChIKeyVVAJWHWPWLOOAK-UHFFFAOYSA-N
MW348.11 g/mol
LogP2.62
Rot. Bonds6

About [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate

[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate (PubChem CID 54412373) has the molecular formula C5H2F10O4S and a molecular weight of 348.11 g/mol. Its IUPAC name is [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate
PubChem CID54412373
Molecular FormulaC5H2F10O4S
Molecular Weight348.11 g/mol
Exact Mass347.95
IUPAC Name[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate
SMILESO=S(=O)(OC(F)(F)C(F)(F)OC(F)(F)CF)C(F)(F)F
InChIInChI=1S/C5H2F10O4S/c6-1-2(7,8)18-3(9,10)4(11,12)19-20(16,17)5(13,14)15/h1H2
InChIKeyVVAJWHWPWLOOAK-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', '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)ethyl] trifluoromethanesulfonate?
The IUPAC name of [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate (CID 54412373) is [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate.
What is the SMILES notation for [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate?
The canonical SMILES for [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate is O=S(=O)(OC(F)(F)C(F)(F)OC(F)(F)CF)C(F)(F)F.
What is the InChIKey of [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate?
The InChIKey is VVAJWHWPWLOOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O4S/c6-1-2(7,8)18-3(9,10)4(11,12)19-20(16,17)5(13,14)15/h1H2.
What are the key properties of [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate?
[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate has a molecular weight of 348.11 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethyl] trifluoromethanesulfonate is sourced from PubChem (CID 54412373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).