N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

C10H20F3N3O3 — CID 55171522

IUPACN'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILESCOCCN(CCOCC(F)(F)F)CC/C(N)=N/O
InChIInChI=1S/C10H20F3N3O3/c1-18-6-4-16(3-2-9(14)15-17)5-7-19-8-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZEHNJUNAQMGCJW-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.65
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (PubChem CID 55171522) has the molecular formula C10H20F3N3O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
PubChem CID55171522
Molecular FormulaC10H20F3N3O3
Molecular Weight287.28 g/mol
Exact Mass287.15
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
SMILESCOCCN(CCOCC(F)(F)F)CC/C(N)=N/O
InChIInChI=1S/C10H20F3N3O3/c1-18-6-4-16(3-2-9(14)15-17)5-7-19-8-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZEHNJUNAQMGCJW-UHFFFAOYSA-N
XLogP0.65
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide (CID 55171522) is N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is COCCN(CCOCC(F)(F)F)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
The InChIKey is ZEHNJUNAQMGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3/c1-18-6-4-16(3-2-9(14)15-17)5-7-19-8-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide has a molecular weight of 287.28 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide is sourced from PubChem (CID 55171522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).