3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide

C5H8F3NO2 — CID 166757052

IUPAC3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(2,3(10)9-11)5(6,7)8/h11H,1-2H3,(H,9,10)
InChIKeyRBQXAZHUUPADSF-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.08
Rot. Bonds1

About 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide

3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide (PubChem CID 166757052) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
PubChem CID166757052
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c1-4(2,3(10)9-11)5(6,7)8/h11H,1-2H3,(H,9,10)
InChIKeyRBQXAZHUUPADSF-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide (CID 166757052) is 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide is CC(C)(C(=O)NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide?
The InChIKey is RBQXAZHUUPADSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-4(2,3(10)9-11)5(6,7)8/h11H,1-2H3,(H,9,10).
What are the key properties of 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide?
3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide has a molecular weight of 171.12 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 166757052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).