N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide

C9H17F3N2O3 — CID 114266408

IUPACN'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide
SMILESCC(OCCOCCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H17F3N2O3/c1-7(8(13)14-15)17-6-5-16-4-2-3-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyNHAUWDABFQUMMF-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.50
Rot. Bonds8

About N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide

N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide (PubChem CID 114266408) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide
PubChem CID114266408
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC NameN'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide
SMILESCC(OCCOCCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H17F3N2O3/c1-7(8(13)14-15)17-6-5-16-4-2-3-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14)
InChIKeyNHAUWDABFQUMMF-UHFFFAOYSA-N
XLogP1.50
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(4,4,4-trifluorobutoxy)ethoxy]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-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide (CID 114266408) is N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide is CC(OCCOCCCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide?
The InChIKey is NHAUWDABFQUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O3/c1-7(8(13)14-15)17-6-5-16-4-2-3-9(10,11)12/h7,15H,2-6H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide?
N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide has a molecular weight of 258.24 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(4,4,4-trifluorobutoxy)ethoxy]propanimidamide is sourced from PubChem (CID 114266408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).