N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide

C10H18F3N3O3 — CID 79680420

IUPACN'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCOCC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3N3O3/c11-10(12,13)7-18-4-1-2-16-3-5-19-8(6-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyZMVBLJLEFWPLCY-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.40
Rot. Bonds6

About N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide

N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide (PubChem CID 79680420) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
PubChem CID79680420
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC NameN'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCOCC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3N3O3/c11-10(12,13)7-18-4-1-2-16-3-5-19-8(6-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyZMVBLJLEFWPLCY-UHFFFAOYSA-N
XLogP0.40
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.40
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-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide (CID 79680420) is N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide is NC(=NO)C1CN(CCCOCC(F)(F)F)CCO1.
What is the InChIKey of N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide?
The InChIKey is ZMVBLJLEFWPLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c11-10(12,13)7-18-4-1-2-16-3-5-19-8(6-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide has a molecular weight of 285.27 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).