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

C6H10F3N3O3 — CID 103211511

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CNC(=O)COCC(F)(F)F)=NO
InChIInChI=1S/C6H10F3N3O3/c7-6(8,9)3-15-2-5(13)11-1-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13)
InChIKeySPYBSHUNHYFJMW-UHFFFAOYSA-N
MW229.16 g/mol
LogP-0.57
Rot. Bonds5

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

N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211511) has the molecular formula C6H10F3N3O3 and a molecular weight of 229.16 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211511
Molecular FormulaC6H10F3N3O3
Molecular Weight229.16 g/mol
Exact Mass229.07
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CNC(=O)COCC(F)(F)F)=NO
InChIInChI=1S/C6H10F3N3O3/c7-6(8,9)3-15-2-5(13)11-1-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13)
InChIKeySPYBSHUNHYFJMW-UHFFFAOYSA-N
XLogP-0.57
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211511) is N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide is NC(CNC(=O)COCC(F)(F)F)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SPYBSHUNHYFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O3/c7-6(8,9)3-15-2-5(13)11-1-4(10)12-14/h14H,1-3H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 229.16 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).