1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine

C8H9F9N2O2S — CID 129218133

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-3-1-18-2-4-19/h18H,1-4H2
InChIKeyYQKDBWLHJXWCOX-UHFFFAOYSA-N
MW368.22 g/mol
LogP1.65
Rot. Bonds4

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine

1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine (PubChem CID 129218133) has the molecular formula C8H9F9N2O2S and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine
PubChem CID129218133
Molecular FormulaC8H9F9N2O2S
Molecular Weight368.22 g/mol
Exact Mass368.02
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine
SMILESO=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-3-1-18-2-4-19/h18H,1-4H2
InChIKeyYQKDBWLHJXWCOX-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.65
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

1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)piperazine
CID 5252822
1-Trifluoromethanesulfonylpiperazine hydrochloride
CID 22665842
Piperazinium trifluoromethanesulfonate
CID 129746813
1-((Trifluoromethyl)sulfonyl)piperazine
CID 18690833
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)piperazine
CID 19384750
1-Difluoromethanesulfonylpiperazine
CID 28606469
1-(3-Fluoropropylsulfonyl)piperazine
CID 53637782
N-[2-(2-aminoethylamino)ethyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CID 53919088
1-(4,4,4-Trifluorobutylsulfonyl)piperazine
CID 54512311
1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57646181
1-Methanidyl-4-(trifluoromethylsulfonyl)piperazin-1-ium
CID 57868221
[1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-ium-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 59302260

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine (CID 129218133) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine is O=S(=O)(N1CCNCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine?
The InChIKey is YQKDBWLHJXWCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9N2O2S/c9-5(10,7(13,14)15)6(11,12)8(16,17)22(20,21)19-3-1-18-2-4-19/h18H,1-4H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine has a molecular weight of 368.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine is sourced from PubChem (CID 129218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).