1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine

C10H9F13N2O2S — CID 19384750

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13N2O2S/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)28(26,27)25-3-1-24-2-4-25/h24H,1-4H2
InChIKeyZIUJJLGCNPNGBX-UHFFFAOYSA-N
MW468.24 g/mol
LogP2.92
Rot. Bonds6

About 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine

1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine (PubChem CID 19384750) has the molecular formula C10H9F13N2O2S and a molecular weight of 468.24 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine
PubChem CID19384750
Molecular FormulaC10H9F13N2O2S
Molecular Weight468.24 g/mol
Exact Mass468.02
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13N2O2S/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)28(26,27)25-3-1-24-2-4-25/h24H,1-4H2
InChIKeyZIUJJLGCNPNGBX-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine (CID 19384750) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine is O=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine?
The InChIKey is ZIUJJLGCNPNGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13N2O2S/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)28(26,27)25-3-1-24-2-4-25/h24H,1-4H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine?
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine has a molecular weight of 468.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)piperazine is sourced from PubChem (CID 19384750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).