N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C7H12F3N3O3 — CID 103211553

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c1-13(2-5(11)12-15)6(14)3-16-4-7(8,9)10/h15H,2-4H2,1H3,(H2,11,12)
InChIKeyDFFIPCJHXWEVQJ-UHFFFAOYSA-N
MW243.18 g/mol
LogP-0.23
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211553) has the molecular formula C7H12F3N3O3 and a molecular weight of 243.18 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211553
Molecular FormulaC7H12F3N3O3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(CC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C7H12F3N3O3/c1-13(2-5(11)12-15)6(14)3-16-4-7(8,9)10/h15H,2-4H2,1H3,(H2,11,12)
InChIKeyDFFIPCJHXWEVQJ-UHFFFAOYSA-N
XLogP-0.23
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide 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 N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211553) is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(CC(N)=NO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is DFFIPCJHXWEVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O3/c1-13(2-5(11)12-15)6(14)3-16-4-7(8,9)10/h15H,2-4H2,1H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 243.18 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).