bis(trifluoromethylsulfonyl)azanide;triheptylazanium

C23H46F6N2O4S2 — CID 134716538

IUPACbis(trifluoromethylsulfonyl)azanide;triheptylazanium
SMILESCCCCCCC[NH+](CCCCCCC)CCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H45N.C2F6NO4S2/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-21H2,1-3H3;/q;-1/p+1
InChIKeyRHJSQEZTYGZABI-UHFFFAOYSA-O
MW592.75 g/mol
LogP6.84
Rot. Bonds20

About bis(trifluoromethylsulfonyl)azanide;triheptylazanium

bis(trifluoromethylsulfonyl)azanide;triheptylazanium (PubChem CID 134716538) has the molecular formula C23H46F6N2O4S2 and a molecular weight of 592.75 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triheptylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triheptylazanium
PubChem CID134716538
Molecular FormulaC23H46F6N2O4S2
Molecular Weight592.75 g/mol
Exact Mass592.28
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triheptylazanium
SMILESCCCCCCC[NH+](CCCCCCC)CCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H45N.C2F6NO4S2/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-21H2,1-3H3;/q;-1/p+1
InChIKeyRHJSQEZTYGZABI-UHFFFAOYSA-O
XLogP6.84
TPSA86.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 56.84
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

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
bis(trifluoromethylsulfonyl)azanide;triethylazanium
CID 11014427
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584
1,1,1,2-tetrafluorotetradecan-2-ylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59046742
bis(trifluoromethylsulfonyl)azanide;tetrabutylphosphanium
CID 158388046
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
bis(trifluoromethylsulfonyl)azanide;uranium
CID 162552088
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CID 12991988
bis(trifluoromethylsulfonyl)azanide;dimethyl-pentyl-propylazanium
CID 140912346
bis(trifluoromethylsulfonyl)azanide;ethyl-dimethyl-pentylazanium
CID 140912340

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triheptylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triheptylazanium (CID 134716538) is bis(trifluoromethylsulfonyl)azanide;triheptylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triheptylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triheptylazanium is CCCCCCC[NH+](CCCCCCC)CCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triheptylazanium?
The InChIKey is RHJSQEZTYGZABI-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H45N.C2F6NO4S2/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-21H2,1-3H3;/q;-1/p+1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triheptylazanium?
bis(trifluoromethylsulfonyl)azanide;triheptylazanium has a molecular weight of 592.75 g/mol, XLogP of 6.84, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triheptylazanium is sourced from PubChem (CID 134716538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).