lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

C10H18F6LiNO8S2 — CID 172754540

IUPAClithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C8H18O4.C2F6NO4S2.Li/c1-9-3-5-11-7-8-12-6-4-10-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;/q;-1;+1
InChIKeyKVIZHAGVVAVKPB-UHFFFAOYSA-N
MW465.32 g/mol
LogP-1.62
Rot. Bonds11

About lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane

lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (PubChem CID 172754540) has the molecular formula C10H18F6LiNO8S2 and a molecular weight of 465.32 g/mol. Its IUPAC name is lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.

Molecular Properties

Compound Namelithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
PubChem CID172754540
Molecular FormulaC10H18F6LiNO8S2
Molecular Weight465.32 g/mol
Exact Mass465.05
IUPAC Namelithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
SMILESCOCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C8H18O4.C2F6NO4S2.Li/c1-9-3-5-11-7-8-12-6-4-10-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;/q;-1;+1
InChIKeyKVIZHAGVVAVKPB-UHFFFAOYSA-N
XLogP-1.62
TPSA119.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.32
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10621697
2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10647529
2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10839160
2-[2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10816385
Bis(bis(trifluoromethylsulfonyl)azanide);manganese(2+);1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 139170048
Lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
CID 23717802
[2-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]-1-(trifluoromethylsulfonyloxy)ethyl] trifluoromethanesulfonate
CID 87803830
[2-[2-(2-Ethoxyethoxy)ethoxy]-1-(trifluoromethylsulfonyloxy)ethyl] trifluoromethanesulfonate
CID 87804664
Bis(trifluoromethylsulfonyl)azanide;triethyloxidanium
CID 140143541
Bis(trifluoromethylsulfonyl)azanide;triethyl-[2-(2-methoxyethoxy)ethoxymethyl]phosphanium
CID 157472918
CID 158120479
CID 158120479
Lithium;bis(trifluoromethylsulfonyl)azanide;1,2-dimethoxyethane
CID 159823179

Frequently Asked Questions

What is the IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The IUPAC name of lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane (CID 172754540) is lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane.
What is the SMILES notation for lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The canonical SMILES for lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is COCCOCCOCCOC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Li+].
What is the InChIKey of lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
The InChIKey is KVIZHAGVVAVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.C2F6NO4S2.Li/c1-9-3-5-11-7-8-12-6-4-10-2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3-8H2,1-2H3;;/q;-1;+1.
What are the key properties of lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane?
lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane has a molecular weight of 465.32 g/mol, XLogP of -1.62, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(trifluoromethylsulfonyl)azanide;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane is sourced from PubChem (CID 172754540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).