ethyl trifluoromethanesulfonate;piperazine

C7H15F3N2O3S — CID 161097127

IUPACethyl trifluoromethanesulfonate;piperazine
SMILESC1CNCCN1.CCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10N2.C3H5F3O3S/c1-2-6-4-3-5-1;1-2-9-10(7,8)3(4,5)6/h5-6H,1-4H2;2H2,1H3
InChIKeyUHYBFIQWQWNKFF-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.05
Rot. Bonds2

About ethyl trifluoromethanesulfonate;piperazine

ethyl trifluoromethanesulfonate;piperazine (PubChem CID 161097127) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is ethyl trifluoromethanesulfonate;piperazine.

Molecular Properties

Compound Nameethyl trifluoromethanesulfonate;piperazine
PubChem CID161097127
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Nameethyl trifluoromethanesulfonate;piperazine
SMILESC1CNCCN1.CCOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H10N2.C3H5F3O3S/c1-2-6-4-3-5-1;1-2-9-10(7,8)3(4,5)6/h5-6H,1-4H2;2H2,1H3
InChIKeyUHYBFIQWQWNKFF-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 ethyl trifluoromethanesulfonate;piperazine?
The IUPAC name of ethyl trifluoromethanesulfonate;piperazine (CID 161097127) is ethyl trifluoromethanesulfonate;piperazine.
What is the SMILES notation for ethyl trifluoromethanesulfonate;piperazine?
The canonical SMILES for ethyl trifluoromethanesulfonate;piperazine is C1CNCCN1.CCOS(=O)(=O)C(F)(F)F.
What is the InChIKey of ethyl trifluoromethanesulfonate;piperazine?
The InChIKey is UHYBFIQWQWNKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H5F3O3S/c1-2-6-4-3-5-1;1-2-9-10(7,8)3(4,5)6/h5-6H,1-4H2;2H2,1H3.
What are the key properties of ethyl trifluoromethanesulfonate;piperazine?
ethyl trifluoromethanesulfonate;piperazine has a molecular weight of 264.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl trifluoromethanesulfonate;piperazine is sourced from PubChem (CID 161097127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).