lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C3F6LiNO4S2 — CID 44630347

IUPAClithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C3F6NO4S2.Li/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
InChIKeyVKQJSJGVEJXINS-UHFFFAOYSA-N
MW299.10 g/mol
LogP-2.14
Rot. Bonds

About lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 44630347) has the molecular formula C3F6LiNO4S2 and a molecular weight of 299.10 g/mol. Its IUPAC name is lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Namelithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID44630347
Molecular FormulaC3F6LiNO4S2
Molecular Weight299.10 g/mol
Exact Mass298.93
IUPAC Namelithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C3F6NO4S2.Li/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1
InChIKeyVKQJSJGVEJXINS-UHFFFAOYSA-N
XLogP-2.14
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide with MolForge

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Related Compounds

1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 11208600
Potassium 1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 44630348
Lithium bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 87691590
2,4,4,5,5,6,6-Heptafluoro-[1,3,2]dithiazinane 1,1,3,3-tetraoxide
CID 13926695
4,4,5,5,6,6-Hexafluoro-1,1,3,3-tetraoxo-1lambda6,3lambda6,2-dithiazinan-2-ide
CID 18684094
Lithium [(Nonafluorobutyl)sulfonyl][(trifluoromethyl)sulfonyl]aZanide
CID 22987608
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58059858
4,4,5,5,6-Pentafluoro-6-(trifluoromethyl)-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58059859
4,4,6,6-Tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58481020
4,4,6,6-Tetrafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58481021
Lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
CID 58725745
4,4,5,5,6,6-Hexafluoro-1,3,2-dithiazinan-2-ium 1,1,3,3-tetraoxide
CID 58937627

Frequently Asked Questions

What is the IUPAC name of lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 44630347) is lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Li+].
What is the InChIKey of lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is VKQJSJGVEJXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6NO4S2.Li/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;/q-1;+1.
What are the key properties of lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 299.10 g/mol, XLogP of -2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 44630347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).