N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide

C8H14F3N3O3 — CID 79680963

IUPACN'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCOC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)17-4-2-14-1-3-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13)
InChIKeyGORHFMWHLCDPCO-UHFFFAOYSA-N
MW257.21 g/mol
LogP-0.03
Rot. Bonds4

About N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide

N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide (PubChem CID 79680963) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide
PubChem CID79680963
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC NameN'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCOC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)17-4-2-14-1-3-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13)
InChIKeyGORHFMWHLCDPCO-UHFFFAOYSA-N
XLogP-0.03
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide (CID 79680963) is N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide is NC(=NO)C1CN(CCOC(F)(F)F)CCO1.
What is the InChIKey of N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide?
The InChIKey is GORHFMWHLCDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c9-8(10,11)17-4-2-14-1-3-16-6(5-14)7(12)13-15/h6,15H,1-5H2,(H2,12,13).
What are the key properties of N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide has a molecular weight of 257.21 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(trifluoromethoxy)ethyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).