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

C9H16F3N3O3 — CID 79680790

IUPACN'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCOCC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)6-17-3-1-15-2-4-18-7(5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyKYGCDQZOJNTPDP-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.01
Rot. Bonds5

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

N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide (PubChem CID 79680790) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
PubChem CID79680790
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCOCC(F)(F)F)CCO1
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)6-17-3-1-15-2-4-18-7(5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14)
InChIKeyKYGCDQZOJNTPDP-UHFFFAOYSA-N
XLogP0.01
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.01
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-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide (CID 79680790) is N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide is NC(=NO)C1CN(CCOCC(F)(F)F)CCO1.
What is the InChIKey of N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide?
The InChIKey is KYGCDQZOJNTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c10-9(11,12)6-17-3-1-15-2-4-18-7(5-15)8(13)14-16/h7,16H,1-6H2,(H2,13,14).
What are the key properties of N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide?
N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide has a molecular weight of 271.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79680790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).