lithium;boric acid;trifluoromethanolate

CH3BF3LiO4 — CID 159254971

IUPAClithium;boric acid;trifluoromethanolate
SMILESOB(O)O.[Li+].[O-]C(F)(F)F
InChIInChI=1S/CF3O.BH3O3.Li/c2-1(3,4)5;2-1(3)4;/h;2-4H;/q-1;;+1
InChIKeyKVTVMDHTONEJQY-UHFFFAOYSA-N
MW153.78 g/mol
LogP-5.18
Rot. Bonds

About lithium;boric acid;trifluoromethanolate

lithium;boric acid;trifluoromethanolate (PubChem CID 159254971) has the molecular formula CH3BF3LiO4 and a molecular weight of 153.78 g/mol. Its IUPAC name is lithium;boric acid;trifluoromethanolate.

Molecular Properties

Compound Namelithium;boric acid;trifluoromethanolate
PubChem CID159254971
Molecular FormulaCH3BF3LiO4
Molecular Weight153.78 g/mol
Exact Mass154.02
IUPAC Namelithium;boric acid;trifluoromethanolate
SMILESOB(O)O.[Li+].[O-]C(F)(F)F
InChIInChI=1S/CF3O.BH3O3.Li/c2-1(3,4)5;2-1(3)4;/h;2-4H;/q-1;;+1
InChIKeyKVTVMDHTONEJQY-UHFFFAOYSA-N
XLogP-5.18
TPSA83.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.78
LogP ≤ 5-5.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium trifluoromethanolate
CID 20660966
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate
CID 158113014
sodium trifluoromethanolate
CID 23669108
boric acid;trifluoromethanesulfonic acid
CID 161076085
dilithium;boric acid;hydrogen borate
CID 157164950
lithium;boric acid;dihydrogen borate
CID 172814782
dopentacontalithium;boric acid;hydride
CID 173414806
boric acid
CID 173080807
lithium;strontium;boric acid;borate
CID 158794502
lithium;sodium;boric acid;hydrogen borate
CID 157067915
boric acid;tris(1,1,2-trifluoroethanol)
CID 175149497

Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;trifluoromethanolate?
The IUPAC name of lithium;boric acid;trifluoromethanolate (CID 159254971) is lithium;boric acid;trifluoromethanolate.
What is the SMILES notation for lithium;boric acid;trifluoromethanolate?
The canonical SMILES for lithium;boric acid;trifluoromethanolate is OB(O)O.[Li+].[O-]C(F)(F)F.
What is the InChIKey of lithium;boric acid;trifluoromethanolate?
The InChIKey is KVTVMDHTONEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/CF3O.BH3O3.Li/c2-1(3,4)5;2-1(3)4;/h;2-4H;/q-1;;+1.
What are the key properties of lithium;boric acid;trifluoromethanolate?
lithium;boric acid;trifluoromethanolate has a molecular weight of 153.78 g/mol, XLogP of -5.18, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;trifluoromethanolate is sourced from PubChem (CID 159254971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).