bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium

C18H32F10N2O4S2 — CID 159067048

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium
SMILESCCCC[N+](CC)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H32N.C4F10NO4S2/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-14H2,1-4H3;/q+1;-1
InChIKeyJZEMGXMVYNVDSX-UHFFFAOYSA-N
MW594.58 g/mol
LogP6.55
Rot. Bonds14

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium (PubChem CID 159067048) has the molecular formula C18H32F10N2O4S2 and a molecular weight of 594.58 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium
PubChem CID159067048
Molecular FormulaC18H32F10N2O4S2
Molecular Weight594.58 g/mol
Exact Mass594.16
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium
SMILESCCCC[N+](CC)(CCCC)CCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H32N.C4F10NO4S2/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-14H2,1-4H3;/q+1;-1
InChIKeyJZEMGXMVYNVDSX-UHFFFAOYSA-N
XLogP6.55
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.58
LogP ≤ 56.55
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

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CID 16211009
Butyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 12991988
Tributylmethylammonium bis(trifluoromethylsulfonyl)imide
CID 44630019
Tetrabutylammonium nonafluorobutanesulfonate
CID 16218637
Tetrabutylammonium bis-trifluoromethanesulfonimidate
CID 16218632
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, compd. with N,N-diethylethanamine (1:1)
CID 44152150
N,N-Dibutyl-N-methylbutan-1-aminium nonafluorobutane-1-sulfonate
CID 21079910
Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide
CID 53384372
N,N,N-Trimethylpropan-1-aminium bis(trifluoromethanesulfonyl)azanide
CID 53384436
Triethylbutylammonium bis(trifluoromethylsulfonyl)imide
CID 121235741
Ethyldimethylpropylammonium bis(trifluoromethylsulfonyl)imide
CID 71310880
N,N,N-Tripropylpentan-1-aminium nonafluorobutane-1-sulfonate
CID 127262917

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium (CID 159067048) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium is CCCC[N+](CC)(CCCC)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;tributyl(ethyl)azanium?
The InChIKey is JZEMGXMVYNVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N.C4F10NO4S2/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10/h5-14H2,1-4H3;/q+1;-1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tributyl(ethyl)azanium has a molecular weight of 594.58 g/mol, XLogP of 6.55, 14 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;tributyl(ethyl)azanium is sourced from PubChem (CID 159067048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).