N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide

C6H11F3N2O2 — CID 43368391

IUPACN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILESCC(COCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C6H11F3N2O2/c1-4(5(10)11-12)2-13-3-6(7,8)9/h4,12H,2-3H2,1H3,(H2,10,11)
InChIKeyFIEJLXHEIZLCKV-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.95
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide

N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide (PubChem CID 43368391) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
PubChem CID43368391
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide
SMILESCC(COCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C6H11F3N2O2/c1-4(5(10)11-12)2-13-3-6(7,8)9/h4,12H,2-3H2,1H3,(H2,10,11)
InChIKeyFIEJLXHEIZLCKV-UHFFFAOYSA-N
XLogP0.95
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.95
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-3-(2,2,2-trifluoroethoxy)propanimidamide 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-3-(2,2,2-trifluoroethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide (CID 43368391) is N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide is CC(COCC(F)(F)F)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
The InChIKey is FIEJLXHEIZLCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-4(5(10)11-12)2-13-3-6(7,8)9/h4,12H,2-3H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide?
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide has a molecular weight of 200.16 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethoxy)propanimidamide is sourced from PubChem (CID 43368391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).