N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide

C7H14F3N3O2 — CID 107480182

IUPACN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-5(6(11)12-15)13(2-3-14)4-7(8,9)10/h5,14-15H,2-4H2,1H3,(H2,11,12)
InChIKeyUEVXPJDDVGFUMM-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.02
Rot. Bonds5

About N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide

N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (PubChem CID 107480182) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
PubChem CID107480182
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-5(6(11)12-15)13(2-3-14)4-7(8,9)10/h5,14-15H,2-4H2,1H3,(H2,11,12)
InChIKeyUEVXPJDDVGFUMM-UHFFFAOYSA-N
XLogP-0.02
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (CID 107480182) is N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide is CC(C(N)=NO)N(CCO)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The InChIKey is UEVXPJDDVGFUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-5(6(11)12-15)13(2-3-14)4-7(8,9)10/h5,14-15H,2-4H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide is sourced from PubChem (CID 107480182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).