bis(trifluoromethylsulfonyl)azanide;trioctylazanium

C26H52F6N2O4S2 — CID 87764843

IUPACbis(trifluoromethylsulfonyl)azanide;trioctylazanium
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H51N.C2F6NO4S2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-24H2,1-3H3;/q;-1/p+1
InChIKeyDVBWFZGRBLDHFU-UHFFFAOYSA-O
MW634.83 g/mol
LogP8.01
Rot. Bonds23

About bis(trifluoromethylsulfonyl)azanide;trioctylazanium

bis(trifluoromethylsulfonyl)azanide;trioctylazanium (PubChem CID 87764843) has the molecular formula C26H52F6N2O4S2 and a molecular weight of 634.83 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;trioctylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;trioctylazanium
PubChem CID87764843
Molecular FormulaC26H52F6N2O4S2
Molecular Weight634.83 g/mol
Exact Mass634.33
IUPAC Namebis(trifluoromethylsulfonyl)azanide;trioctylazanium
SMILESCCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C24H51N.C2F6NO4S2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-24H2,1-3H3;/q;-1/p+1
InChIKeyDVBWFZGRBLDHFU-UHFFFAOYSA-O
XLogP8.01
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.83
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyltricaprylylammonium bistriflamide
CID 16211009
Triethyloctylammonium bis(trifluoromethylsulfonyl)imide
CID 121235740
Hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
CID 121235739
Tetraoctylammonium bis(trifluoromethylsulfonyl)imide
CID 11181779
Tetra-n-hexylammonium bis(trifluoromethylsulfonyl) amide
CID 12184312
Tri-n-butyl-n-heptylammonium bis(trifluoromethylsulfonyl) amide
CID 25173211
Hexyltributylammomium bis((trifluoromethyl)sulfonyl)imide
CID 25185927
Tri-n-butyl-n-octylammonium bis(trifluoromethylsulfonyl) amide
CID 87089604
Didecyldimethylammonium bis(trifluoromethylsulfonyl)imide
CID 134159525
1-Decyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716509
Tetra-n-decylammonium bis(trifluoromethylsulfonyl) amide
CID 134716562
Triethyldodecylammonium bis(trifluoromethanesulfonyl)imide
CID 129880619

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;trioctylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;trioctylazanium (CID 87764843) is bis(trifluoromethylsulfonyl)azanide;trioctylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;trioctylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;trioctylazanium is CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;trioctylazanium?
The InChIKey is DVBWFZGRBLDHFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H51N.C2F6NO4S2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-24H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;trioctylazanium?
bis(trifluoromethylsulfonyl)azanide;trioctylazanium has a molecular weight of 634.83 g/mol, XLogP of 8.01, 23 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;trioctylazanium is sourced from PubChem (CID 87764843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).