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

C11H20F3N3O2 — CID 103370839

IUPAC3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(CO)OC(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-10(2)6-17(3-7(5-18)19-10)4-8(9(15)16)11(12,13)14/h7-8,18H,3-6H2,1-2H3,(H3,15,16)
InChIKeyGZQXJIIZXMJILI-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.57
Rot. Bonds4

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

3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide (PubChem CID 103370839) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
PubChem CID103370839
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(CO)OC(C)(C)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-10(2)6-17(3-7(5-18)19-10)4-8(9(15)16)11(12,13)14/h7-8,18H,3-6H2,1-2H3,(H3,15,16)
InChIKeyGZQXJIIZXMJILI-UHFFFAOYSA-N
XLogP0.57
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[4-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103366481
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-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370021
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
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370803
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370804
3,3,3-Trifluoro-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]propanimidamide
CID 103370806
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370846
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]propanimidamide
CID 113807956
3,3,3-Trifluoro-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]propanimidamide
CID 113808137

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide (CID 103370839) is 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CC(CO)OC(C)(C)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
The InChIKey is GZQXJIIZXMJILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-10(2)6-17(3-7(5-18)19-10)4-8(9(15)16)11(12,13)14/h7-8,18H,3-6H2,1-2H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).