Lithium trifluoroacetate

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CAS Number

2923-17-3

Synonyms

Trifluoroacetic acid, lithium salt, Lithium 2,2,2-trifluoroethanoate

MDL Number

MFCD00013216

Purity

96%

Smiles

[Li+].[O-]C(=O)C(F)(F)F

Notes

Useful for the preparation of trifluoroketones; treatment with BuLi gives 61% yield of 1,1,1-trifluoro-2-hexanone; also reacts with Grignard reagents to give ketones.

Chemical Information

Acetic acid, 2,2,2-trifluoro-, lithium salt (1:1)

CAS Number	2923-17-3
PubChem CID	23661853
IUPAC Name	lithium 2,2,2-trifluoroacetate
Molecular Formula	C2F3LiO2
Molecular Weight	120.0
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	87

SMILES

[Li+].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C2HF3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1

InChIKey

HSFDLPWPRRSVSM-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 2923-17-3

CID: 23661853

Formula: C2F3LiO2

MW: 120.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	120.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	120.00104216
Monoisotopic Mass	120.00104216
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	87.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Lithium trifluoroacetate

Chemical Information

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