lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

C4F8LiNO4S2 — CID 58725745

IUPAClithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C4F8NO4S2.Li/c5-1(6)2(7,3(8,9)10)18(14,15)13-19(16,17)4(1,11)12;/q-1;+1
InChIKeyFENYGASKIGIAPZ-UHFFFAOYSA-N
MW349.11 g/mol
LogP-1.51
Rot. Bonds

About lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide

lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (PubChem CID 58725745) has the molecular formula C4F8LiNO4S2 and a molecular weight of 349.11 g/mol. Its IUPAC name is lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Namelithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
PubChem CID58725745
Molecular FormulaC4F8LiNO4S2
Molecular Weight349.11 g/mol
Exact Mass348.93
IUPAC Namelithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide
SMILESO=S1(=O)[N-]S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C1(F)F.[Li+]
InChIInChI=1S/C4F8NO4S2.Li/c5-1(6)2(7,3(8,9)10)18(14,15)13-19(16,17)4(1,11)12;/q-1;+1
InChIKeyFENYGASKIGIAPZ-UHFFFAOYSA-N
XLogP-1.51
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The IUPAC name of lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide (CID 58725745) is lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide.
What is the SMILES notation for lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The canonical SMILES for lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is O=S1(=O)[N-]S(=O)(=O)C(F)(C(F)(F)F)C(F)(F)C1(F)F.[Li+].
What is the InChIKey of lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
The InChIKey is FENYGASKIGIAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8NO4S2.Li/c5-1(6)2(7,3(8,9)10)18(14,15)13-19(16,17)4(1,11)12;/q-1;+1.
What are the key properties of lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide?
lithium 4,4,5,5,6-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide has a molecular weight of 349.11 g/mol, XLogP of -1.51, 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-pentafluoro-6-(trifluoromethyl)-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide is sourced from PubChem (CID 58725745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).