2,2,3-trifluoro-3-oxopropanoic acid

C3HF3O3 — CID 57488659

IUPAC2,2,3-trifluoro-3-oxopropanoic acid
SMILESO=C(O)C(F)(F)C(=O)F
InChIInChI=1S/C3HF3O3/c4-1(7)3(5,6)2(8)9/h(H,8,9)
InChIKeyGMWJQQFADUSJQE-UHFFFAOYSA-N
MW142.03 g/mol
LogP0.20
Rot. Bonds2

About 2,2,3-trifluoro-3-oxopropanoic acid

2,2,3-trifluoro-3-oxopropanoic acid (PubChem CID 57488659) has the molecular formula C3HF3O3 and a molecular weight of 142.03 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-oxopropanoic acid.

Molecular Properties

Compound Name2,2,3-trifluoro-3-oxopropanoic acid
PubChem CID57488659
Molecular FormulaC3HF3O3
Molecular Weight142.03 g/mol
Exact Mass141.99
IUPAC Name2,2,3-trifluoro-3-oxopropanoic acid
SMILESO=C(O)C(F)(F)C(=O)F
InChIInChI=1S/C3HF3O3/c4-1(7)3(5,6)2(8)9/h(H,8,9)
InChIKeyGMWJQQFADUSJQE-UHFFFAOYSA-N
XLogP0.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoropropanedioic acid
CID 10130002
2,2,3,4-tetrafluorobut-3-enoic acid
CID 23268867
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
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

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-oxopropanoic acid?
The IUPAC name of 2,2,3-trifluoro-3-oxopropanoic acid (CID 57488659) is 2,2,3-trifluoro-3-oxopropanoic acid.
What is the SMILES notation for 2,2,3-trifluoro-3-oxopropanoic acid?
The canonical SMILES for 2,2,3-trifluoro-3-oxopropanoic acid is O=C(O)C(F)(F)C(=O)F.
What is the InChIKey of 2,2,3-trifluoro-3-oxopropanoic acid?
The InChIKey is GMWJQQFADUSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3O3/c4-1(7)3(5,6)2(8)9/h(H,8,9).
What are the key properties of 2,2,3-trifluoro-3-oxopropanoic acid?
2,2,3-trifluoro-3-oxopropanoic acid has a molecular weight of 142.03 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-oxopropanoic acid is sourced from PubChem (CID 57488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).