N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide

C11H20F3IN4O — CID 111085490

IUPACN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H19F3N4O.HI/c12-11(13,14)8-17-2-1-9(7-17)16-10(15)18-3-5-19-6-4-18;/h9H,1-8H2,(H2,15,16);1H
InChIKeyLPZQJXQTXOALDH-UHFFFAOYSA-N
MW408.21 g/mol
LogP0.89
Rot. Bonds2

About N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide

N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111085490) has the molecular formula C11H20F3IN4O and a molecular weight of 408.21 g/mol. Its IUPAC name is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111085490
Molecular FormulaC11H20F3IN4O
Molecular Weight408.21 g/mol
Exact Mass408.06
IUPAC NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H19F3N4O.HI/c12-11(13,14)8-17-2-1-9(7-17)16-10(15)18-3-5-19-6-4-18;/h9H,1-8H2,(H2,15,16);1H
InChIKeyLPZQJXQTXOALDH-UHFFFAOYSA-N
XLogP0.89
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-Methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110916961
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110940089
1-Ethyl-2-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110971866
1-Ethyl-2-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110971867
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111021096
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111021097
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111021694
N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111065407
N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboximidamide
CID 111065408
2-Methyl-1-(2-morpholin-4-ylethyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111065487
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide
CID 111066452
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide
CID 111085491

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide (CID 111085490) is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LPZQJXQTXOALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O.HI/c12-11(13,14)8-17-2-1-9(7-17)16-10(15)18-3-5-19-6-4-18;/h9H,1-8H2,(H2,15,16);1H.
What are the key properties of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide?
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 408.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111085490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).