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

C9H16F6N2O5S2 — CID 131742275

IUPACbis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol
SMILESC[N+]1(CCO)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H16NO.C2F6NO4S2/c1-8(6-7-9)4-2-3-5-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,2-7H2,1H3;/q+1;-1
InChIKeyJVCLYBPWILMVRO-UHFFFAOYSA-N
MW410.36 g/mol
LogP1.28
Rot. Bonds4

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

bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol (PubChem CID 131742275) has the molecular formula C9H16F6N2O5S2 and a molecular weight of 410.36 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol
PubChem CID131742275
Molecular FormulaC9H16F6N2O5S2
Molecular Weight410.36 g/mol
Exact Mass410.04
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol
SMILESC[N+]1(CCO)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H16NO.C2F6NO4S2/c1-8(6-7-9)4-2-3-5-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,2-7H2,1H3;/q+1;-1
InChIKeyJVCLYBPWILMVRO-UHFFFAOYSA-N
XLogP1.28
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 51.28
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-Methyl-1-(2-methoxyethyl)pyrrolidinium bis(trifluoromethanesulfonyl)imide
CID 56972931
qaPFSMf n=4
CID 139595660
qaPFSMf n=2
CID 139595724
qaPFSMf n=3
CID 139596615
[1-Hydroxy-2-(1-methylpyrrolidin-1-ium-1-yl)ethylidene]-bis(trifluoromethylsulfonyl)azanium
CID 87777786
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
N-hydroxyethyl-N-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716397
N,N-bis(methoxyethyl)pyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716461
1-Ethoxyethyl-1-methylpyrrolidinium Bis (trifluoromethylsulfonyl)imide
CID 54613092
N-hydroxyethyl-N-ethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716426
N-methoxyethyl-N-ethoxyethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716487
N-methoxyethyl-N-methylpyrrolidinium bis(perfluoroethanesulfonyl)imide
CID 134716505

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol (CID 131742275) is bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol is C[N+]1(CCO)CCCC1.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-methylpyrrolidin-1-ium-1-yl)ethanol?
The InChIKey is JVCLYBPWILMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.C2F6NO4S2/c1-8(6-7-9)4-2-3-5-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,2-7H2,1H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol?
bis(trifluoromethylsulfonyl)azanide;2-(1-methylpyrrolidin-1-ium-1-yl)ethanol has a molecular weight of 410.36 g/mol, XLogP of 1.28, 4 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-methylpyrrolidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 131742275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).