2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

C9H17F3IN3O2 — CID 120662209

IUPAC2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOC(F)(F)F)CCO1.I
InChIInChI=1S/C9H16F3N3O2.HI/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12;/h7H,2-6H2,1H3,(H2,13,14);1H
InChIKeyXDHYTXVMODWYSG-UHFFFAOYSA-N
MW383.15 g/mol
LogP1.18
Rot. Bonds3

About 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120662209) has the molecular formula C9H17F3IN3O2 and a molecular weight of 383.15 g/mol. Its IUPAC name is 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120662209
Molecular FormulaC9H17F3IN3O2
Molecular Weight383.15 g/mol
Exact Mass383.03
IUPAC Name2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOC(F)(F)F)CCO1.I
InChIInChI=1S/C9H16F3N3O2.HI/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12;/h7H,2-6H2,1H3,(H2,13,14);1H
InChIKeyXDHYTXVMODWYSG-UHFFFAOYSA-N
XLogP1.18
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 51.18
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 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide (CID 120662209) is 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCOC(F)(F)F)CCO1.I.
What is the InChIKey of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is XDHYTXVMODWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2.HI/c1-7-6-15(3-5-16-7)8(13)14-2-4-17-9(10,11)12;/h7H,2-6H2,1H3,(H2,13,14);1H.
What are the key properties of 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 383.15 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(trifluoromethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120662209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).