bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium

C14H24F10N2O4S2 — CID 141248001

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium
SMILESCCCC[N+](C)(C)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H24N.C4F10NO4S2/c1-5-7-9-11(3,4)10-8-6-2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-10H2,1-4H3;/q+1;-1
InChIKeyABUNRUULSZZUEV-UHFFFAOYSA-N
MW538.47 g/mol
LogP4.99
Rot. Bonds10

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium (PubChem CID 141248001) has the molecular formula C14H24F10N2O4S2 and a molecular weight of 538.47 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium
PubChem CID141248001
Molecular FormulaC14H24F10N2O4S2
Molecular Weight538.47 g/mol
Exact Mass538.10
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium
SMILESCCCC[N+](C)(C)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H24N.C4F10NO4S2/c1-5-7-9-11(3,4)10-8-6-2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-10H2,1-4H3;/q+1;-1
InChIKeyABUNRUULSZZUEV-UHFFFAOYSA-N
XLogP4.99
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
3-[butyl(dimethyl)azaniumyl]propylsulfonyl-(trifluoromethylsulfonyl)azanide
CID 177489735
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340
bis(trifluoromethylsulfonyl)azanide;tris-decyl(methyl)azanium
CID 175748915
bis(trifluoromethylsulfonyl)azanide;didecyl-methyl-octylazanium
CID 175748919
bis(trifluoromethylsulfonyl)azanide;hexyl(trimethyl)azanium
CID 12991990
sodium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 87423860
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-propylazanium
CID 71310880
magnesium;bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;chloride
CID 140785394
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;dodecyl-bis(2-hydroxyethyl)-methylazanium
CID 141217234

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium (CID 141248001) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium is CCCC[N+](C)(C)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium?
The InChIKey is ABUNRUULSZZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N.C4F10NO4S2/c1-5-7-9-11(3,4)10-8-6-2;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-10H2,1-4H3;/q+1;-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium has a molecular weight of 538.47 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;dibutyl(dimethyl)azanium is sourced from PubChem (CID 141248001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).