lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate

C4HF8LiO4S2-2 — CID 174871743

IUPAClithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-].[H-].[Li+]
InChIInChI=1S/C4H2F8O4S2.Li.H/c5-1(6,3(9,10)17(13)14)2(7,8)4(11,12)18(15)16;;/h(H,13,14)(H,15,16);;/q;+1;-1/p-2
InChIKeyZWAYYAJUUQODAD-UHFFFAOYSA-L
MW336.11 g/mol
LogP-1.68
Rot. Bonds5

About lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate

lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate (PubChem CID 174871743) has the molecular formula C4HF8LiO4S2-2 and a molecular weight of 336.11 g/mol. Its IUPAC name is lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate.

Molecular Properties

Compound Namelithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
PubChem CID174871743
Molecular FormulaC4HF8LiO4S2-2
Molecular Weight336.11 g/mol
Exact Mass335.94
IUPAC Namelithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-].[H-].[Li+]
InChIInChI=1S/C4H2F8O4S2.Li.H/c5-1(6,3(9,10)17(13)14)2(7,8)4(11,12)18(15)16;;/h(H,13,14)(H,15,16);;/q;+1;-1/p-2
InChIKeyZWAYYAJUUQODAD-UHFFFAOYSA-L
XLogP-1.68
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.11
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate?
The IUPAC name of lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate (CID 174871743) is lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate.
What is the SMILES notation for lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate?
The canonical SMILES for lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate is O=S([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-].[H-].[Li+].
What is the InChIKey of lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate?
The InChIKey is ZWAYYAJUUQODAD-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H2F8O4S2.Li.H/c5-1(6,3(9,10)17(13)14)2(7,8)4(11,12)18(15)16;;/h(H,13,14)(H,15,16);;/q;+1;-1/p-2.
What are the key properties of lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate?
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate has a molecular weight of 336.11 g/mol, XLogP of -1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate is sourced from PubChem (CID 174871743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).