N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine

C11H15F3N2O3 — CID 90893510

IUPACN-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
SMILESCN(Cc1ccccc1)C(=O)C(F)(F)F.COON
InChIInChI=1S/C10H10F3NO.CH5NO2/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8;1-3-4-2/h2-6H,7H2,1H3;2H2,1H3
InChIKeyFNGARFYGWKDVRW-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.65
Rot. Bonds3

About N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine

N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine (PubChem CID 90893510) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
PubChem CID90893510
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC NameN-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
SMILESCN(Cc1ccccc1)C(=O)C(F)(F)F.COON
InChIInChI=1S/C10H10F3NO.CH5NO2/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8;1-3-4-2/h2-6H,7H2,1H3;2H2,1H3
InChIKeyFNGARFYGWKDVRW-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine (CID 90893510) is N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine is CN(Cc1ccccc1)C(=O)C(F)(F)F.COON.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine?
The InChIKey is FNGARFYGWKDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.CH5NO2/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8;1-3-4-2/h2-6H,7H2,1H3;2H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine?
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine has a molecular weight of 280.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine is sourced from PubChem (CID 90893510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).