1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine

C19H30F12N4O4S2 — CID 163642411

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.CCCN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)CC1
InChIInChI=1S/C11H18F6N2O2S.C8H12F6N2O2S/c1-3-4-18-5-7-19(8-6-18)22(20,21)11(16,17)10(14,15)9(2,12)13;1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h3-8H2,1-2H3;15H,2-5H2,1H3
InChIKeyIFKCVDDUWUPWCC-UHFFFAOYSA-N
MW670.58 g/mol
LogP3.33
Rot. Bonds10

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine (PubChem CID 163642411) has the molecular formula C19H30F12N4O4S2 and a molecular weight of 670.58 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine
PubChem CID163642411
Molecular FormulaC19H30F12N4O4S2
Molecular Weight670.58 g/mol
Exact Mass670.15
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.CCCN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)CC1
InChIInChI=1S/C11H18F6N2O2S.C8H12F6N2O2S/c1-3-4-18-5-7-19(8-6-18)22(20,21)11(16,17)10(14,15)9(2,12)13;1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h3-8H2,1-2H3;15H,2-5H2,1H3
InChIKeyIFKCVDDUWUPWCC-UHFFFAOYSA-N
XLogP3.33
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trifluoromethylsulfonyl 1,1,2,2,3,3-hexafluoro-3-piperazin-1-ylsulfonylpropane-1-sulfonate
CID 134286034
1-(trifluoromethylsulfonyl)piperazine
CID 18690833
hydron;1-propylpiperazine;dibromide
CID 91980567
1-tert-butylsulfonyl-1,4-diazepane
CID 63687283
1-(trifluoromethylsulfonyl)-1,4,7,10,14,17-hexazacycloicosane
CID 175452379
1-(2-methoxyethyl)-4-piperazin-1-ylsulfonyl-1,4-diazepane
CID 61254572
2-methyl-2-piperazin-1-ylsulfonylpropanal
CID 115032123
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
1-(3-decylsulfonylpropyl)piperazine
CID 150001783
ethyl acetate;N-[9-[4-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazin-1-yl]-8,9-dioxononyl]-2-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazin-1-yl]-2-oxoacetamide;1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperazine;2,2,2-trifluoroethyl 2-oxo-9-(2-oxopropanoylamino)nonanoate
CID 159440105
piperidine;1-propylpiperidine
CID 67843364
1-butylsulfonylpiperazine
CID 16769079

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine (CID 163642411) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCNCC1.CCCN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)CC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine?
The InChIKey is IFKCVDDUWUPWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O2S.C8H12F6N2O2S/c1-3-4-18-5-7-19(8-6-18)22(20,21)11(16,17)10(14,15)9(2,12)13;1-6(9,10)7(11,12)8(13,14)19(17,18)16-4-2-15-3-5-16/h3-8H2,1-2H3;15H,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)-4-propylpiperazine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine has a molecular weight of 670.58 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperazine;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-4-propylpiperazine is sourced from PubChem (CID 163642411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).