4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide

C5H6F3NO3 — CID 10081104

IUPAC4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide
SMILESCC(C(=O)NO)C(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(4(11)9-12)3(10)5(6,7)8/h2,12H,1H3,(H,9,11)
InChIKeyRGUMFPDAYPXIFJ-UHFFFAOYSA-N
MW185.10 g/mol
LogP0.26
Rot. Bonds2

About 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide

4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide (PubChem CID 10081104) has the molecular formula C5H6F3NO3 and a molecular weight of 185.10 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide
PubChem CID10081104
Molecular FormulaC5H6F3NO3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide
SMILESCC(C(=O)NO)C(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO3/c1-2(4(11)9-12)3(10)5(6,7)8/h2,12H,1H3,(H,9,11)
InChIKeyRGUMFPDAYPXIFJ-UHFFFAOYSA-N
XLogP0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide?
The IUPAC name of 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide (CID 10081104) is 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide is CC(C(=O)NO)C(=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide?
The InChIKey is RGUMFPDAYPXIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3/c1-2(4(11)9-12)3(10)5(6,7)8/h2,12H,1H3,(H,9,11).
What are the key properties of 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide?
4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide has a molecular weight of 185.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-hydroxy-2-methyl-3-oxobutanamide is sourced from PubChem (CID 10081104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).