3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide

C10H18F3N3O3 — CID 103370021

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
SMILESCC1COC(CO)CN1CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-6-5-19-7(4-17)2-16(6)3-8(9(14)15-18)10(11,12)13/h6-8,17-18H,2-5H2,1H3,(H2,14,15)
InChIKeyICVSXWVYRGXWHL-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.01
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide (PubChem CID 103370021) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
PubChem CID103370021
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
SMILESCC1COC(CO)CN1CC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-6-5-19-7(4-17)2-16(6)3-8(9(14)15-18)10(11,12)13/h6-8,17-18H,2-5H2,1H3,(H2,14,15)
InChIKeyICVSXWVYRGXWHL-UHFFFAOYSA-N
XLogP-0.01
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.01
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

3,3,3-trifluoro-N'-hydroxy-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369210
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369257
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
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369302
3,3,3-trifluoro-N'-hydroxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]propanimidamide
CID 103369370
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370020
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
CID 103370087
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370219
3,3,3-trifluoro-N'-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
CID 103370237
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370257

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide (CID 103370021) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide is CC1COC(CO)CN1CC(C(N)=NO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide?
The InChIKey is ICVSXWVYRGXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-6-5-19-7(4-17)2-16(6)3-8(9(14)15-18)10(11,12)13/h6-8,17-18H,2-5H2,1H3,(H2,14,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide has a molecular weight of 285.27 g/mol, XLogP of -0.01, 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-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).