lithium;acetic acid;2,2,2-trifluoroacetate

C4H4F3LiO4 — CID 89314712

IUPAClithium;acetic acid;2,2,2-trifluoroacetate
SMILESCC(=O)O.O=C([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C2HF3O2.C2H4O2.Li/c3-2(4,5)1(6)7;1-2(3)4;/h(H,6,7);1H3,(H,3,4);/q;;+1/p-1
InChIKeyMTBKWNZWNQFWKL-UHFFFAOYSA-M
MW180.01 g/mol
LogP-3.61
Rot. Bonds

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

lithium;acetic acid;2,2,2-trifluoroacetate (PubChem CID 89314712) has the molecular formula C4H4F3LiO4 and a molecular weight of 180.01 g/mol. Its IUPAC name is lithium;acetic acid;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namelithium;acetic acid;2,2,2-trifluoroacetate
PubChem CID89314712
Molecular FormulaC4H4F3LiO4
Molecular Weight180.01 g/mol
Exact Mass180.02
IUPAC Namelithium;acetic acid;2,2,2-trifluoroacetate
SMILESCC(=O)O.O=C([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C2HF3O2.C2H4O2.Li/c3-2(4,5)1(6)7;1-2(3)4;/h(H,6,7);1H3,(H,3,4);/q;;+1/p-1
InChIKeyMTBKWNZWNQFWKL-UHFFFAOYSA-M
XLogP-3.61
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.01
LogP ≤ 5-3.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroacetate acetate
CID 19379527
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
zinc 2,2,2-trifluoroacetate
CID 22604677
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
sodium 2,2,2-trifluoroacetate
CID 517019
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
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

Frequently Asked Questions

What is the IUPAC name of lithium;acetic acid;2,2,2-trifluoroacetate?
The IUPAC name of lithium;acetic acid;2,2,2-trifluoroacetate (CID 89314712) is lithium;acetic acid;2,2,2-trifluoroacetate.
What is the SMILES notation for lithium;acetic acid;2,2,2-trifluoroacetate?
The canonical SMILES for lithium;acetic acid;2,2,2-trifluoroacetate is CC(=O)O.O=C([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium;acetic acid;2,2,2-trifluoroacetate?
The InChIKey is MTBKWNZWNQFWKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.C2H4O2.Li/c3-2(4,5)1(6)7;1-2(3)4;/h(H,6,7);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of lithium;acetic acid;2,2,2-trifluoroacetate?
lithium;acetic acid;2,2,2-trifluoroacetate has a molecular weight of 180.01 g/mol, XLogP of -3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;acetic acid;2,2,2-trifluoroacetate is sourced from PubChem (CID 89314712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).