lithium;boric acid;2,2,2-trifluoroacetate

C2H3BF3LiO5 — CID 159468247

IUPAClithium;boric acid;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.OB(O)O.[Li+]
InChIInChI=1S/C2HF3O2.BH3O3.Li/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);2-4H;/q;;+1/p-1
InChIKeyLVLSFWQSUTUIBP-UHFFFAOYSA-M
MW181.79 g/mol
LogP-5.75
Rot. Bonds

About lithium;boric acid;2,2,2-trifluoroacetate

lithium;boric acid;2,2,2-trifluoroacetate (PubChem CID 159468247) has the molecular formula C2H3BF3LiO5 and a molecular weight of 181.79 g/mol. Its IUPAC name is lithium;boric acid;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namelithium;boric acid;2,2,2-trifluoroacetate
PubChem CID159468247
Molecular FormulaC2H3BF3LiO5
Molecular Weight181.79 g/mol
Exact Mass182.02
IUPAC Namelithium;boric acid;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.OB(O)O.[Li+]
InChIInChI=1S/C2HF3O2.BH3O3.Li/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);2-4H;/q;;+1/p-1
InChIKeyLVLSFWQSUTUIBP-UHFFFAOYSA-M
XLogP-5.75
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.79
LogP ≤ 5-5.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate
CID 157418814
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303

Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;2,2,2-trifluoroacetate?
The IUPAC name of lithium;boric acid;2,2,2-trifluoroacetate (CID 159468247) is lithium;boric acid;2,2,2-trifluoroacetate.
What is the SMILES notation for lithium;boric acid;2,2,2-trifluoroacetate?
The canonical SMILES for lithium;boric acid;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.OB(O)O.[Li+].
What is the InChIKey of lithium;boric acid;2,2,2-trifluoroacetate?
The InChIKey is LVLSFWQSUTUIBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.BH3O3.Li/c3-2(4,5)1(6)7;2-1(3)4;/h(H,6,7);2-4H;/q;;+1/p-1.
What are the key properties of lithium;boric acid;2,2,2-trifluoroacetate?
lithium;boric acid;2,2,2-trifluoroacetate has a molecular weight of 181.79 g/mol, XLogP of -5.75, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;2,2,2-trifluoroacetate is sourced from PubChem (CID 159468247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).