1,4-bis(trifluoromethylsulfonyl)piperazine

C6H8F6N2O4S2 — CID 12065825

IUPAC1,4-bis(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCN(S(=O)(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C6H8F6N2O4S2/c7-5(8,9)19(15,16)13-1-2-14(4-3-13)20(17,18)6(10,11)12/h1-4H2
InChIKeyYOXIAJYBWHWSFI-UHFFFAOYSA-N
MW350.26 g/mol
LogP0.30
Rot. Bonds2

About 1,4-bis(trifluoromethylsulfonyl)piperazine

1,4-bis(trifluoromethylsulfonyl)piperazine (PubChem CID 12065825) has the molecular formula C6H8F6N2O4S2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1,4-bis(trifluoromethylsulfonyl)piperazine.

Molecular Properties

Compound Name1,4-bis(trifluoromethylsulfonyl)piperazine
PubChem CID12065825
Molecular FormulaC6H8F6N2O4S2
Molecular Weight350.26 g/mol
Exact Mass349.98
IUPAC Name1,4-bis(trifluoromethylsulfonyl)piperazine
SMILESO=S(=O)(N1CCN(S(=O)(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C6H8F6N2O4S2/c7-5(8,9)19(15,16)13-1-2-14(4-3-13)20(17,18)6(10,11)12/h1-4H2
InChIKeyYOXIAJYBWHWSFI-UHFFFAOYSA-N
XLogP0.30
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(trifluoromethylsulfonyl)piperazine?
The IUPAC name of 1,4-bis(trifluoromethylsulfonyl)piperazine (CID 12065825) is 1,4-bis(trifluoromethylsulfonyl)piperazine.
What is the SMILES notation for 1,4-bis(trifluoromethylsulfonyl)piperazine?
The canonical SMILES for 1,4-bis(trifluoromethylsulfonyl)piperazine is O=S(=O)(N1CCN(S(=O)(=O)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1,4-bis(trifluoromethylsulfonyl)piperazine?
The InChIKey is YOXIAJYBWHWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6N2O4S2/c7-5(8,9)19(15,16)13-1-2-14(4-3-13)20(17,18)6(10,11)12/h1-4H2.
What are the key properties of 1,4-bis(trifluoromethylsulfonyl)piperazine?
1,4-bis(trifluoromethylsulfonyl)piperazine has a molecular weight of 350.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(trifluoromethylsulfonyl)piperazine is sourced from PubChem (CID 12065825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).