1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine

C8H12F6N2O2S — CID 123568773

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H12F6N2O2S/c1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h15H,2-5H2,1H3
InChIKeyOCENPUYTGOHCFF-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.10
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine (PubChem CID 123568773) has the molecular formula C8H12F6N2O2S and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine
PubChem CID123568773
Molecular FormulaC8H12F6N2O2S
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C8H12F6N2O2S/c1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h15H,2-5H2,1H3
InChIKeyOCENPUYTGOHCFF-UHFFFAOYSA-N
XLogP1.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54512311
CID 57568907
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CID 57568908
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CID 57646181
CID 57646181
CID 58861604
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CID 59302254
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CID 59302260
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CID 59465083

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine (CID 123568773) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine?
The InChIKey is OCENPUYTGOHCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6N2O2S/c1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h15H,2-5H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine has a molecular weight of 314.25 g/mol, XLogP of 1.10, 4 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-hexafluorobutylsulfonyl)piperazine is sourced from PubChem (CID 123568773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).