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

C10H18F3N3O2 — CID 111057668

IUPACN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16/h1-8H2,(H2,14,15)
InChIKeyRJNWESKMCRZPPQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.60
Rot. Bonds5

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

N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide (PubChem CID 111057668) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
PubChem CID111057668
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCOCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16/h1-8H2,(H2,14,15)
InChIKeyRJNWESKMCRZPPQ-UHFFFAOYSA-N
XLogP0.60
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.60
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'}

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Related Compounds

1-Ethyl-3-(3-morpholin-4-ylpropyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110971737
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111057667
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
N'-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
CID 111057752
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
CID 111187813
2-(2,2-Difluoroethyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111757696
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
CID 111800772

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide (CID 111057668) is N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide is N/C(=N\CCCOCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide?
The InChIKey is RJNWESKMCRZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)8-18-5-1-2-15-9(14)16-3-6-17-7-4-16/h1-8H2,(H2,14,15).
What are the key properties of N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide?
N'-[3-(2,2,2-trifluoroethoxy)propyl]morpholine-4-carboximidamide has a molecular weight of 269.27 g/mol, XLogP of 0.60, 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 is sourced from PubChem (CID 111057668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).