2,2,2-trifluoro-N-hydroxy-N-methylacetamide

C3H4F3NO2 — CID 130872194

IUPAC2,2,2-trifluoro-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-7(9)2(8)3(4,5)6/h9H,1H3
InChIKeyRHGRFOQUZGUAKP-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.40
Rot. Bonds

About 2,2,2-trifluoro-N-hydroxy-N-methylacetamide

2,2,2-trifluoro-N-hydroxy-N-methylacetamide (PubChem CID 130872194) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-hydroxy-N-methylacetamide
PubChem CID130872194
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Name2,2,2-trifluoro-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)C(F)(F)F
InChIInChI=1S/C3H4F3NO2/c1-7(9)2(8)3(4,5)6/h9H,1H3
InChIKeyRHGRFOQUZGUAKP-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.40
H-Bond Donors ≤ 51
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 2,2,2-trifluoro-N-hydroxy-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-hydroxy-N-methylacetamide (CID 130872194) is 2,2,2-trifluoro-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-hydroxy-N-methylacetamide is CN(O)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-hydroxy-N-methylacetamide?
The InChIKey is RHGRFOQUZGUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F3NO2/c1-7(9)2(8)3(4,5)6/h9H,1H3.
What are the key properties of 2,2,2-trifluoro-N-hydroxy-N-methylacetamide?
2,2,2-trifluoro-N-hydroxy-N-methylacetamide has a molecular weight of 143.06 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 130872194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).