3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide

C11H20F3N3O2 — CID 103369370

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
SMILESCC1CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H20F3N3O2/c1-7-4-17(6-10(2,3)19-7)5-8(9(15)16-18)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H2,15,16)
InChIKeyQOHKOWJGCCQSLP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.41
Rot. Bonds3

About 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide (PubChem CID 103369370) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
PubChem CID103369370
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
SMILESCC1CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H20F3N3O2/c1-7-4-17(6-10(2,3)19-7)5-8(9(15)16-18)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H2,15,16)
InChIKeyQOHKOWJGCCQSLP-UHFFFAOYSA-N
XLogP1.41
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 76205073
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76210947
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
N'-hydroxy-3-[2-methoxyethyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]propanimidamide
CID 76994125
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide (CID 103369370) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide is CC1CN(CC(C(N)=NO)C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide?
The InChIKey is QOHKOWJGCCQSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-7-4-17(6-10(2,3)19-7)5-8(9(15)16-18)11(12,13)14/h7-8,18H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide is sourced from PubChem (CID 103369370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).