dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride

C39H77Cl2F8K2N4O7S2- — CID 158215424

IUPACdipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride
SMILESCC(C)=O.CCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCN1CCN(C)C1.O=S(=O)(O)C(F)(F)C(F)F.O=S(=O)([O-])C(F)(F)C(F)F.[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/2C16H34N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-16H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-3
InChIKeyLCKLBMALJCFIRV-UHFFFAOYSA-K
MW1079.29 g/mol
LogP-2.04
Rot. Bonds26

About dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride

dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride (PubChem CID 158215424) has the molecular formula C39H77Cl2F8K2N4O7S2- and a molecular weight of 1079.29 g/mol. Its IUPAC name is dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride.

Molecular Properties

Compound Namedipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride
PubChem CID158215424
Molecular FormulaC39H77Cl2F8K2N4O7S2-
Molecular Weight1079.29 g/mol
Exact Mass1077.38
IUPAC Namedipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride
SMILESCC(C)=O.CCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCN1CCN(C)C1.O=S(=O)(O)C(F)(F)C(F)F.O=S(=O)([O-])C(F)(F)C(F)F.[Cl-].[Cl-].[K+].[K+]
InChIInChI=1S/2C16H34N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-16H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-3
InChIKeyLCKLBMALJCFIRV-UHFFFAOYSA-K
XLogP-2.04
TPSA141.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms64
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001079.29
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride with MolForge

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Related Compounds

dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
CID 160848959
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
CID 158364955
1-hexyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 175874968
3-ethyl-1-heptylpyrrolidine;trifluoromethanesulfonic acid
CID 175849480
1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
CID 162068588
methanesulfonic acid;1-nonylpyrrolidine
CID 175874971
methanesulfonic acid;1-undecylpyrrolidine
CID 175583381
3-butyl-1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 175584167
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
1-decylpiperidine;methanesulfonic acid
CID 175874627

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride?
The IUPAC name of dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride (CID 158215424) is dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride.
What is the SMILES notation for dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride?
The canonical SMILES for dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride is CC(C)=O.CCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCN1CCN(C)C1.O=S(=O)(O)C(F)(F)C(F)F.O=S(=O)([O-])C(F)(F)C(F)F.[Cl-].[Cl-].[K+].[K+].
What is the InChIKey of dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride?
The InChIKey is LCKLBMALJCFIRV-UHFFFAOYSA-K. The full InChI is InChI=1S/2C16H34N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-16H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-3.
What are the key properties of dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride?
dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride has a molecular weight of 1079.29 g/mol, XLogP of -2.04, 26 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride is sourced from PubChem (CID 158215424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).