dilithium;hydride;trifluoromethanesulfonate

CHF3Li2O3S — CID 173362891

IUPACdilithium;hydride;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[H-].[Li+].[Li+]
InChIInChI=1S/CHF3O3S.2Li.H/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);;;/q;2*+1;-1/p-1
InChIKeyVHOWFUQQTRXYPI-UHFFFAOYSA-M
MW163.96 g/mol
LogP-5.83
Rot. Bonds

About dilithium;hydride;trifluoromethanesulfonate

dilithium;hydride;trifluoromethanesulfonate (PubChem CID 173362891) has the molecular formula CHF3Li2O3S and a molecular weight of 163.96 g/mol. Its IUPAC name is dilithium;hydride;trifluoromethanesulfonate.

Molecular Properties

Compound Namedilithium;hydride;trifluoromethanesulfonate
PubChem CID173362891
Molecular FormulaCHF3Li2O3S
Molecular Weight163.96 g/mol
Exact Mass163.99
IUPAC Namedilithium;hydride;trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[H-].[Li+].[Li+]
InChIInChI=1S/CHF3O3S.2Li.H/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);;;/q;2*+1;-1/p-1
InChIKeyVHOWFUQQTRXYPI-UHFFFAOYSA-M
XLogP-5.83
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.96
LogP ≤ 5-5.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699
trifluoromethanesulfonate;trimethylstannanylium
CID 119095664
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558

Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;trifluoromethanesulfonate?
The IUPAC name of dilithium;hydride;trifluoromethanesulfonate (CID 173362891) is dilithium;hydride;trifluoromethanesulfonate.
What is the SMILES notation for dilithium;hydride;trifluoromethanesulfonate?
The canonical SMILES for dilithium;hydride;trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;trifluoromethanesulfonate?
The InChIKey is VHOWFUQQTRXYPI-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O3S.2Li.H/c2-1(3,4)8(5,6)7;;;/h(H,5,6,7);;;/q;2*+1;-1/p-1.
What are the key properties of dilithium;hydride;trifluoromethanesulfonate?
dilithium;hydride;trifluoromethanesulfonate has a molecular weight of 163.96 g/mol, XLogP of -5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;trifluoromethanesulfonate is sourced from PubChem (CID 173362891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).