N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide

C5H10F3N3O — CID 60890614

IUPACN'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C5H10F3N3O/c1-11(2-4(9)10-12)3-5(6,7)8/h12H,2-3H2,1H3,(H2,9,10)
InChIKeyLUPNRZIWVMTYHB-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.23
Rot. Bonds3

About N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide (PubChem CID 60890614) has the molecular formula C5H10F3N3O and a molecular weight of 185.15 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
PubChem CID60890614
Molecular FormulaC5H10F3N3O
Molecular Weight185.15 g/mol
Exact Mass185.08
IUPAC NameN'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide
SMILESCN(C/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C5H10F3N3O/c1-11(2-4(9)10-12)3-5(6,7)8/h12H,2-3H2,1H3,(H2,9,10)
InChIKeyLUPNRZIWVMTYHB-UHFFFAOYSA-N
XLogP0.23
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide 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'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide (CID 60890614) is N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide is CN(C/C(N)=N/O)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
The InChIKey is LUPNRZIWVMTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N3O/c1-11(2-4(9)10-12)3-5(6,7)8/h12H,2-3H2,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide has a molecular weight of 185.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(2,2,2-trifluoroethyl)amino]ethanimidamide is sourced from PubChem (CID 60890614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).