piperazine-1,4-disulfonyl fluoride

C4H8F2N2O4S2 — CID 138663965

IUPACpiperazine-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C4H8F2N2O4S2/c5-13(9,10)7-1-2-8(4-3-7)14(6,11)12/h1-4H2
InChIKeyOJVNVTFEQBGEHJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.97
Rot. Bonds2

About piperazine-1,4-disulfonyl fluoride

piperazine-1,4-disulfonyl fluoride (PubChem CID 138663965) has the molecular formula C4H8F2N2O4S2 and a molecular weight of 250.25 g/mol. Its IUPAC name is piperazine-1,4-disulfonyl fluoride.

Molecular Properties

Compound Namepiperazine-1,4-disulfonyl fluoride
PubChem CID138663965
Molecular FormulaC4H8F2N2O4S2
Molecular Weight250.25 g/mol
Exact Mass249.99
IUPAC Namepiperazine-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(S(=O)(=O)F)CC1
InChIInChI=1S/C4H8F2N2O4S2/c5-13(9,10)7-1-2-8(4-3-7)14(6,11)12/h1-4H2
InChIKeyOJVNVTFEQBGEHJ-UHFFFAOYSA-N
XLogP-0.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-disulfonyl fluoride?
The IUPAC name of piperazine-1,4-disulfonyl fluoride (CID 138663965) is piperazine-1,4-disulfonyl fluoride.
What is the SMILES notation for piperazine-1,4-disulfonyl fluoride?
The canonical SMILES for piperazine-1,4-disulfonyl fluoride is O=S(=O)(F)N1CCN(S(=O)(=O)F)CC1.
What is the InChIKey of piperazine-1,4-disulfonyl fluoride?
The InChIKey is OJVNVTFEQBGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O4S2/c5-13(9,10)7-1-2-8(4-3-7)14(6,11)12/h1-4H2.
What are the key properties of piperazine-1,4-disulfonyl fluoride?
piperazine-1,4-disulfonyl fluoride has a molecular weight of 250.25 g/mol, XLogP of -0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-disulfonyl fluoride is sourced from PubChem (CID 138663965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).