lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C11H7F7LiNO5S2 — CID 101090951

IUPAClithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESC=Cc1ccc(OC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C11H7F7NO5S2.Li/c1-2-7-3-5-8(6-4-7)24-9(12,13)10(14,15)25(20,21)19-26(22,23)11(16,17)18;/h2-6H,1H2;/q-1;+1
InChIKeyCONNMCHVYKQLGM-UHFFFAOYSA-N
MW437.24 g/mol
LogP0.45
Rot. Bonds7

About lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 101090951) has the molecular formula C11H7F7LiNO5S2 and a molecular weight of 437.24 g/mol. Its IUPAC name is lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namelithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID101090951
Molecular FormulaC11H7F7LiNO5S2
Molecular Weight437.24 g/mol
Exact Mass436.98
IUPAC Namelithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESC=Cc1ccc(OC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C11H7F7NO5S2.Li/c1-2-7-3-5-8(6-4-7)24-9(12,13)10(14,15)25(20,21)19-26(22,23)11(16,17)18;/h2-6H,1H2;/q-1;+1
InChIKeyCONNMCHVYKQLGM-UHFFFAOYSA-N
XLogP0.45
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 101090951) is lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is C=Cc1ccc(OC(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.[Li+].
What is the InChIKey of lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is CONNMCHVYKQLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F7NO5S2.Li/c1-2-7-3-5-8(6-4-7)24-9(12,13)10(14,15)25(20,21)19-26(22,23)11(16,17)18;/h2-6H,1H2;/q-1;+1.
What are the key properties of lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 437.24 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-(4-ethenylphenoxy)-1,1,2,2-tetrafluoroethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 101090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).