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

C9H17F3IN3O2 — CID 119118139

IUPACN'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C9H16F3N3O2.HI/c10-9(11,12)7-17-4-1-14-8(13)15-2-5-16-6-3-15;/h1-7H2,(H2,13,14);1H
InChIKeyVXUIDGBAAWJFLP-UHFFFAOYSA-N
MW383.15 g/mol
LogP0.83
Rot. Bonds4

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

N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119118139) has the molecular formula C9H17F3IN3O2 and a molecular weight of 383.15 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119118139
Molecular FormulaC9H17F3IN3O2
Molecular Weight383.15 g/mol
Exact Mass383.03
IUPAC NameN'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C9H16F3N3O2.HI/c10-9(11,12)7-17-4-1-14-8(13)15-2-5-16-6-3-15;/h1-7H2,(H2,13,14);1H
InChIKeyVXUIDGBAAWJFLP-UHFFFAOYSA-N
XLogP0.83
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 119118139) is N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is VXUIDGBAAWJFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2.HI/c10-9(11,12)7-17-4-1-14-8(13)15-2-5-16-6-3-15;/h1-7H2,(H2,13,14);1H.
What are the key properties of N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 383.15 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119118139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).