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

C10H19F3IN3O2 — CID 111057667

IUPACN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H18F3N3O2.HI/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16;/h1-8H2,(H2,14,15);1H
InChIKeyGAGZHYOAXWJFHZ-UHFFFAOYSA-N
MW397.18 g/mol
LogP1.22
Rot. Bonds5

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

N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111057667) has the molecular formula C10H19F3IN3O2 and a molecular weight of 397.18 g/mol. Its IUPAC name is N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111057667
Molecular FormulaC10H19F3IN3O2
Molecular Weight397.18 g/mol
Exact Mass397.05
IUPAC NameN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H18F3N3O2.HI/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16;/h1-8H2,(H2,14,15);1H
InChIKeyGAGZHYOAXWJFHZ-UHFFFAOYSA-N
XLogP1.22
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 51.22
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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Related Compounds

1-Ethyl-3-(3-morpholin-4-ylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110971736
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
CID 111057668
1-(3-Morpholin-4-ylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057697
1-(3-Morpholin-4-ylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111057698
2-Methyl-1-(2-morpholin-4-ylethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111057747
N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111057751
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide
CID 111066452
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide
CID 111066453
1-Ethyl-3-(2-morpholin-4-ylethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111187812
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide
CID 111800763
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide
CID 111800764
2-(3-Morpholin-4-ylpropyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800771

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide (CID 111057667) is N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCCOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is GAGZHYOAXWJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2.HI/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16;/h1-8H2,(H2,14,15);1H.
What are the key properties of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 397.18 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111057667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).