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

C8H14F3N3O — CID 111800764

IUPACN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13)
InChIKeyWQSSSNVSPASKOV-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.59
Rot. Bonds2

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

N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide (PubChem CID 111800764) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide
PubChem CID111800764
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC NameN'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide
SMILESN/C(=N\CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13)
InChIKeyWQSSSNVSPASKOV-UHFFFAOYSA-N
XLogP0.59
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.59
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'}

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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
CID 111066479
2-(2,2-Difluoroethyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111757696
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide;hydroiodide
CID 111800763
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?
The IUPAC name of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide (CID 111800764) is N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide is N/C(=N\CCC(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide?
The InChIKey is WQSSSNVSPASKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13).
What are the key properties of N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide?
N'-(3,3,3-trifluoropropyl)morpholine-4-carboximidamide has a molecular weight of 225.21 g/mol, XLogP of 0.59, 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 is sourced from PubChem (CID 111800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).