N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide

C8H16F3N3O2 — CID 77028731

IUPACN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
SMILESCC(CC(N)=NO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-6(4-7(12)14-15)13-2-3-16-5-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyPJWUGVCNTCBOJV-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.68
Rot. Bonds7

About N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide

N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide (PubChem CID 77028731) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
PubChem CID77028731
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC NameN'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide
SMILESCC(CC(N)=NO)NCCOCC(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c1-6(4-7(12)14-15)13-2-3-16-5-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14)
InChIKeyPJWUGVCNTCBOJV-UHFFFAOYSA-N
XLogP0.68
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.68
H-Bond Donors ≤ 53
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-3-[2-(2,2,2-trifluoroethoxy)ethylamino]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-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide (CID 77028731) is N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide is CC(CC(N)=NO)NCCOCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
The InChIKey is PJWUGVCNTCBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c1-6(4-7(12)14-15)13-2-3-16-5-8(9,10)11/h6,13,15H,2-5H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide?
N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide has a molecular weight of 243.23 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]butanimidamide is sourced from PubChem (CID 77028731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).