[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate

C6H4F10O6S2 — CID 14943853

IUPAC[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10O6S2/c7-3(8,1-21-23(17,18)5(11,12)13)4(9,10)2-22-24(19,20)6(14,15)16/h1-2H2
InChIKeyJYJOPNQTICQFGE-UHFFFAOYSA-N
MW426.21 g/mol
LogP1.99
Rot. Bonds7

About [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate

[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate (PubChem CID 14943853) has the molecular formula C6H4F10O6S2 and a molecular weight of 426.21 g/mol. Its IUPAC name is [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate
PubChem CID14943853
Molecular FormulaC6H4F10O6S2
Molecular Weight426.21 g/mol
Exact Mass425.93
IUPAC Name[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate
SMILESO=S(=O)(OCC(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10O6S2/c7-3(8,1-21-23(17,18)5(11,12)13)4(9,10)2-22-24(19,20)6(14,15)16/h1-2H2
InChIKeyJYJOPNQTICQFGE-UHFFFAOYSA-N
XLogP1.99
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 51.99
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'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate?
The IUPAC name of [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate (CID 14943853) is [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate.
What is the SMILES notation for [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate?
The canonical SMILES for [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate is O=S(=O)(OCC(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate?
The InChIKey is JYJOPNQTICQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O6S2/c7-3(8,1-21-23(17,18)5(11,12)13)4(9,10)2-22-24(19,20)6(14,15)16/h1-2H2.
What are the key properties of [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate?
[2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate has a molecular weight of 426.21 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,3,3-tetrafluoro-4-(trifluoromethylsulfonyloxy)butyl] trifluoromethanesulfonate is sourced from PubChem (CID 14943853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).