bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol

C11H20F6N2O5S2 — CID 134716426

IUPACbis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol
SMILESCC[N+]1(CCO)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO.C2F6NO4S2/c1-2-10(8-9-11)6-4-3-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,2-9H2,1H3;/q+1;-1
InChIKeyDGBVODQKCWEOFI-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.06
Rot. Bonds5

About bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol

bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol (PubChem CID 134716426) has the molecular formula C11H20F6N2O5S2 and a molecular weight of 438.41 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol
PubChem CID134716426
Molecular FormulaC11H20F6N2O5S2
Molecular Weight438.41 g/mol
Exact Mass438.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol
SMILESCC[N+]1(CCO)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20NO.C2F6NO4S2/c1-2-10(8-9-11)6-4-3-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,2-9H2,1H3;/q+1;-1
InChIKeyDGBVODQKCWEOFI-UHFFFAOYSA-N
XLogP2.06
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methoxypropyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 54613449
N-methyl,butyl-morpholinium bis((trifluoromethyl)sulfonyl)imide
CID 87375760
N-methoxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 121235361
4-(Hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)imide
CID 129850499
N-(2-hydroxyethyl)-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide
CID 131742275
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
N,N-bis(methoxyethyl)piperidinium bis(trifluoromethylsulfonyl)imide
CID 134716478
N-methoxyethyl-N-ethoxyethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716498
N-hydroxypropyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716427
N-hydroxypropyl-N-ethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716441
2-[butyl(2-hydroxyethyl)amino]ethanol;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 11568426

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol (CID 134716426) is bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol is CC[N+]1(CCO)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol?
The InChIKey is DGBVODQKCWEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO.C2F6NO4S2/c1-2-10(8-9-11)6-4-3-5-7-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h11H,2-9H2,1H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol?
bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol has a molecular weight of 438.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-(1-ethylpiperidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 134716426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).