N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

C7H14F3N3O — CID 60890616

IUPACN'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILESCN(CCC/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyJURUNAHJJRFBNM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.01
Rot. Bonds5

About N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide

N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 60890616) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID60890616
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC NameN'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILESCN(CCC/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12)
InChIKeyJURUNAHJJRFBNM-UHFFFAOYSA-N
XLogP1.01
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.01
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-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide 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-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 60890616) is N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is CN(CCC/C(N)=N/O)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is JURUNAHJJRFBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(11)12-14/h14H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide?
N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide has a molecular weight of 213.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 60890616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).