ethenone;2,2,2-trifluoroacetic acid

C4H3F3O3 — CID 158998620

IUPACethenone;2,2,2-trifluoroacetic acid
SMILESC=C=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);1H2
InChIKeyJRBFLVGWICRNNV-UHFFFAOYSA-N
MW156.06 g/mol
LogP0.64
Rot. Bonds

About ethenone;2,2,2-trifluoroacetic acid

ethenone;2,2,2-trifluoroacetic acid (PubChem CID 158998620) has the molecular formula C4H3F3O3 and a molecular weight of 156.06 g/mol. Its IUPAC name is ethenone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethenone;2,2,2-trifluoroacetic acid
PubChem CID158998620
Molecular FormulaC4H3F3O3
Molecular Weight156.06 g/mol
Exact Mass156.00
IUPAC Nameethenone;2,2,2-trifluoroacetic acid
SMILESC=C=O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);1H2
InChIKeyJRBFLVGWICRNNV-UHFFFAOYSA-N
XLogP0.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanimine;2,2,2-trifluoroacetic acid
CID 87715622
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of ethenone;2,2,2-trifluoroacetic acid?
The IUPAC name of ethenone;2,2,2-trifluoroacetic acid (CID 158998620) is ethenone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethenone;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethenone;2,2,2-trifluoroacetic acid is C=C=O.O=C(O)C(F)(F)F.
What is the InChIKey of ethenone;2,2,2-trifluoroacetic acid?
The InChIKey is JRBFLVGWICRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H2O/c3-2(4,5)1(6)7;1-2-3/h(H,6,7);1H2.
What are the key properties of ethenone;2,2,2-trifluoroacetic acid?
ethenone;2,2,2-trifluoroacetic acid has a molecular weight of 156.06 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158998620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).