dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride

C47H92Cl2F8K2N4O7S2-2 — CID 160848959

IUPACdipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
SMILESCC(C)=O.CCCCCCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCCCCCN1CCN(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/2C20H42N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-20H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-4
InChIKeyNNIINZGFKNYKAS-UHFFFAOYSA-J
MW1190.49 g/mol
LogP0.74
Rot. Bonds34

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

dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride (PubChem CID 160848959) has the molecular formula C47H92Cl2F8K2N4O7S2-2 and a molecular weight of 1190.49 g/mol. Its IUPAC name is dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride.

Molecular Properties

Compound Namedipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
PubChem CID160848959
Molecular FormulaC47H92Cl2F8K2N4O7S2-2
Molecular Weight1190.49 g/mol
Exact Mass1188.49
IUPAC Namedipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride
SMILESCC(C)=O.CCCCCCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCCCCCN1CCN(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/2C20H42N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-20H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-4
InChIKeyNNIINZGFKNYKAS-UHFFFAOYSA-J
XLogP0.74
TPSA144.43 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds34
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001190.49
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

dipotassium;bis(1-dodecyl-3-methylimidazolidine);propan-2-one;1,1,2,2-tetrafluoroethanesulfonate;1,1,2,2-tetrafluoroethanesulfonic acid;dichloride
CID 158215424
1-methyl-3-octadecylimidazolidine;hydrobromide
CID 173194742
1-methyl-3-pentylimidazolidine;pentafluoro-λ5-phosphane;fluoride
CID 158364955
1-octylpyrrolidine;trifluoromethanesulfonic acid
CID 173043377
1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
CID 162068588
potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
ethane;1-methyl-4-pentylpiperazine
CID 145099418
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
1-hexyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 175874968
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride?
The IUPAC name of dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride (CID 160848959) is dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride.
What is the SMILES notation for dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride?
The canonical SMILES for dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride is CC(C)=O.CCCCCCCCCCCCCCCCN1CCN(C)C1.CCCCCCCCCCCCCCCCN1CCN(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-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride?
The InChIKey is NNIINZGFKNYKAS-UHFFFAOYSA-J. The full InChI is InChI=1S/2C20H42N2.C3H6O.2C2H2F4O3S.2ClH.2K/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-19-18-21(2)20-22;1-3(2)4;2*3-1(4)2(5,6)10(7,8)9;;;;/h2*3-20H2,1-2H3;1-2H3;2*1H,(H,7,8,9);2*1H;;/q;;;;;;;2*+1/p-4.
What are the key properties of dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride?
dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride has a molecular weight of 1190.49 g/mol, XLogP of 0.74, 34 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(1-hexadecyl-3-methylimidazolidine);propan-2-one;bis(1,1,2,2-tetrafluoroethanesulfonate);dichloride is sourced from PubChem (CID 160848959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).