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

C11H19F3N4O — CID 111085491

IUPACN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H19F3N4O/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)
InChIKeyYMAAJZKHXSOQMF-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.27
Rot. Bonds2

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

N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide (PubChem CID 111085491) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide
PubChem CID111085491
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CCN(CC(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C11H19F3N4O/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)
InChIKeyYMAAJZKHXSOQMF-UHFFFAOYSA-N
XLogP0.27
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.27
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'}

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Related Compounds

2-(2-Methoxyethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110916962
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110940090
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
CID 111021695
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
CID 111065488
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide
CID 111066453
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide;hydroiodide
CID 111085490

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide (CID 111085491) is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide is 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?
The InChIKey is YMAAJZKHXSOQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/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).
What are the key properties of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide?
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboximidamide has a molecular weight of 280.29 g/mol, XLogP of 0.27, 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 is sourced from PubChem (CID 111085491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).