N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide

C8H15F3IN3O — CID 111800763

IUPACN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H14F3N3O.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H
InChIKeyRAHMDTJXFHLSHK-UHFFFAOYSA-N
MW353.13 g/mol
LogP1.20
Rot. Bonds2

About N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide

N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 111800763) has the molecular formula C8H15F3IN3O and a molecular weight of 353.13 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID111800763
Molecular FormulaC8H15F3IN3O
Molecular Weight353.13 g/mol
Exact Mass353.02
IUPAC NameN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H14F3N3O.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H
InChIKeyRAHMDTJXFHLSHK-UHFFFAOYSA-N
XLogP1.20
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111057667
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
CID 111057668
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
2-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111066478
2-(2,2-Difluoroethyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111757696
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide
CID 111800764
2-(3-Morpholin-4-ylpropyl)-1-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111800771
2-(3-Morpholin-4-ylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800772
N'-(5,5,5-trifluoropentyl)morpholine-4-carboximidamide;hydroiodide
CID 112412245
N'-(5,5,5-trifluoropentyl)morpholine-4-carboximidamide
CID 112412246
N'-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 119118139

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide (CID 111800763) is N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is RAHMDTJXFHLSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O.HI/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14;/h1-6H2,(H2,12,13);1H.
What are the key properties of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide?
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 353.13 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111800763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).