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

C11H20F3N3O3 — CID 103370237

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
SMILESCC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H20F3N3O3/c1-10(2)6-17(3-7(5-18)20-10)4-8(9(15)16-19)11(12,13)14/h7-8,18-19H,3-6H2,1-2H3,(H2,15,16)
InChIKeyISRFJUXMYSQRFV-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.38
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide (PubChem CID 103370237) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
PubChem CID103370237
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
SMILESCC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H20F3N3O3/c1-10(2)6-17(3-7(5-18)20-10)4-8(9(15)16-19)11(12,13)14/h7-8,18-19H,3-6H2,1-2H3,(H2,15,16)
InChIKeyISRFJUXMYSQRFV-UHFFFAOYSA-N
XLogP0.38
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[4-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103366481
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210
2-[(2,5-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369258
2-[(2-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369259
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
CID 103369370
2-[(1,4-dioxan-2-ylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369749
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)amino]methyl]propanimidamide
CID 103369872
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370020
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370021
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
CID 103370087
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370257
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370803

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide (CID 103370237) is 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide is CC1(C)CN(CC(C(N)=NO)C(F)(F)F)CC(CO)O1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The InChIKey is ISRFJUXMYSQRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-10(2)6-17(3-7(5-18)20-10)4-8(9(15)16-19)11(12,13)14/h7-8,18-19H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide has a molecular weight of 299.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).