lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide

C2F4LiNO4S2 — CID 14123337

IUPAClithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C2F4NO4S2.Li/c3-1(4)2(5,6)13(10,11)7-12(1,8)9;/q-1;+1
InChIKeyBAYWSWNWVYTRTI-UHFFFAOYSA-N
MW249.09 g/mol
LogP-2.78
Rot. Bonds

About lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide

lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide (PubChem CID 14123337) has the molecular formula C2F4LiNO4S2 and a molecular weight of 249.09 g/mol. Its IUPAC name is lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Namelithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
PubChem CID14123337
Molecular FormulaC2F4LiNO4S2
Molecular Weight249.09 g/mol
Exact Mass248.94
IUPAC Namelithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C2F4NO4S2.Li/c3-1(4)2(5,6)13(10,11)7-12(1,8)9;/q-1;+1
InChIKeyBAYWSWNWVYTRTI-UHFFFAOYSA-N
XLogP-2.78
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 5-2.78
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-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide with MolForge

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Related Compounds

4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-methylphenyl)-diphenylsulfanium
CID 165365817
5,5,6,6-tetrafluoro-1λ6-thia-2-azanidacyclohexane 1,1-dioxide
CID 58040802
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
CID 54080609
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide
CID 58997839
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
CID 89312231
3,3,4,4,5,5-hexafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
CID 20749597
4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 22095324
2,2,3,3,5,5-hexafluorothiolane 1,1-dioxide
CID 87128473
4-chloro-4,5,5-trifluoro-1,3,2-dioxathiolane 2,2-dioxide
CID 158657256
4,4,5,5,6-pentafluoro-6-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
CID 58341496
3,4,4-trifluoro-3-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
CID 14203451

Frequently Asked Questions

What is the IUPAC name of lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide?
The IUPAC name of lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide (CID 14123337) is lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide.
What is the SMILES notation for lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide?
The canonical SMILES for lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(F)C1(F)F.[Li+].
What is the InChIKey of lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide?
The InChIKey is BAYWSWNWVYTRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F4NO4S2.Li/c3-1(4)2(5,6)13(10,11)7-12(1,8)9;/q-1;+1.
What are the key properties of lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide?
lithium 4,4,5,5-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide has a molecular weight of 249.09 g/mol, XLogP of -2.78, 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-tetrafluoro-1lambda6,3lambda6-dithia-2-azanidacyclopentane 1,1,3,3-tetraoxide is sourced from PubChem (CID 14123337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).