5,5,5-trifluoro-4-oxopentanoic acid

C5H5F3O3 — CID 20543330

IUPAC5,5,5-trifluoro-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-2H2,(H,10,11)
InChIKeyJUYJVMZMNMXMCE-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.98
Rot. Bonds3

About 5,5,5-trifluoro-4-oxopentanoic acid

5,5,5-trifluoro-4-oxopentanoic acid (PubChem CID 20543330) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-oxopentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-4-oxopentanoic acid
PubChem CID20543330
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name5,5,5-trifluoro-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-2H2,(H,10,11)
InChIKeyJUYJVMZMNMXMCE-UHFFFAOYSA-N
XLogP0.98
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
butanedioic acid;difluoromethane
CID 159584710
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
butanedioic acid;fluoroform
CID 159416748
butanoic acid;2,2,2-trifluoroacetic acid
CID 22460941
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-oxopentanoic acid?
The IUPAC name of 5,5,5-trifluoro-4-oxopentanoic acid (CID 20543330) is 5,5,5-trifluoro-4-oxopentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-4-oxopentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-4-oxopentanoic acid is O=C(O)CCC(=O)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-oxopentanoic acid?
The InChIKey is JUYJVMZMNMXMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-2H2,(H,10,11).
What are the key properties of 5,5,5-trifluoro-4-oxopentanoic acid?
5,5,5-trifluoro-4-oxopentanoic acid has a molecular weight of 170.09 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-oxopentanoic acid is sourced from PubChem (CID 20543330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).