1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride

C7H11F5N2O2S — CID 58716087

IUPAC1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride
SMILESCN1CCN(C(F)(F)C(F)(F)S(=O)(=O)F)CC1
InChIInChI=1S/C7H11F5N2O2S/c1-13-2-4-14(5-3-13)6(8,9)7(10,11)17(12,15)16/h2-5H2,1H3
InChIKeyZXYODUSNVIHPAW-UHFFFAOYSA-N
MW282.23 g/mol
LogP0.72
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride (PubChem CID 58716087) has the molecular formula C7H11F5N2O2S and a molecular weight of 282.23 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride
PubChem CID58716087
Molecular FormulaC7H11F5N2O2S
Molecular Weight282.23 g/mol
Exact Mass282.05
IUPAC Name1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride
SMILESCN1CCN(C(F)(F)C(F)(F)S(=O)(=O)F)CC1
InChIInChI=1S/C7H11F5N2O2S/c1-13-2-4-14(5-3-13)6(8,9)7(10,11)17(12,15)16/h2-5H2,1H3
InChIKeyZXYODUSNVIHPAW-UHFFFAOYSA-N
XLogP0.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 49719423
1-Methyl-4-(trifluoromethylsulfonyl)piperazine
CID 57970215
1-Methylsulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 49720669
[1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 59302253
1,1,2,2,3,3-Hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropane-1-sulfonate
CID 59594098
1-Ethyl-4-(2,2,2-trifluoroethylsulfonyl)piperazine
CID 71158445
N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonylsulfamoyl fluoride
CID 89349654
N-[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-N-methylsulfamoyl fluoride
CID 89484298
1,1,2,2,3,3-hexafluoro-N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 89534543
1-[1,1,2,2,3,3-Hexafluoro-3-(trifluoromethylsulfonylsulfonyl)propyl]sulfonyl-4-methylpiperazine
CID 89535464
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)-4-methylpiperazine
CID 89762793
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-4-methylpiperazine
CID 117791738

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride (CID 58716087) is 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride is CN1CCN(C(F)(F)C(F)(F)S(=O)(=O)F)CC1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride?
The InChIKey is ZXYODUSNVIHPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O2S/c1-13-2-4-14(5-3-13)6(8,9)7(10,11)17(12,15)16/h2-5H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride has a molecular weight of 282.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(4-methylpiperazin-1-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 58716087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).