2,2,2-trifluoroacetate acetate

C4H3F3O4-2 — CID 19379527

IUPAC2,2,2-trifluoroacetate acetate
SMILESCC(=O)[O-].O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H,3,4)/p-2
InChIKeyPAAZCQANMCYGAW-UHFFFAOYSA-L
MW172.06 g/mol
LogP-1.95
Rot. Bonds

About 2,2,2-trifluoroacetate acetate

2,2,2-trifluoroacetate acetate (PubChem CID 19379527) has the molecular formula C4H3F3O4-2 and a molecular weight of 172.06 g/mol. Its IUPAC name is 2,2,2-trifluoroacetate acetate.

Molecular Properties

Compound Name2,2,2-trifluoroacetate acetate
PubChem CID19379527
Molecular FormulaC4H3F3O4-2
Molecular Weight172.06 g/mol
Exact Mass172.00
IUPAC Name2,2,2-trifluoroacetate acetate
SMILESCC(=O)[O-].O=C([O-])C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H,3,4)/p-2
InChIKeyPAAZCQANMCYGAW-UHFFFAOYSA-L
XLogP-1.95
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.06
LogP ≤ 5-1.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
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
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
dimethyl(methylidene)azanium;2,2,2-trifluoroacetate
CID 11298207
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetate acetate?
The IUPAC name of 2,2,2-trifluoroacetate acetate (CID 19379527) is 2,2,2-trifluoroacetate acetate.
What is the SMILES notation for 2,2,2-trifluoroacetate acetate?
The canonical SMILES for 2,2,2-trifluoroacetate acetate is CC(=O)[O-].O=C([O-])C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetate acetate?
The InChIKey is PAAZCQANMCYGAW-UHFFFAOYSA-L. The full InChI is InChI=1S/C2HF3O2.C2H4O2/c3-2(4,5)1(6)7;1-2(3)4/h(H,6,7);1H3,(H,3,4)/p-2.
What are the key properties of 2,2,2-trifluoroacetate acetate?
2,2,2-trifluoroacetate acetate has a molecular weight of 172.06 g/mol, XLogP of -1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetate acetate is sourced from PubChem (CID 19379527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).