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

C10H18F3N3O2 — CID 103370846

IUPAC3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)OC(CO)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-6-2-16(3-7(5-17)18-6)4-8(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15)
InChIKeyVCYJXFITXFYTTQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.18
Rot. Bonds4

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

3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide (PubChem CID 103370846) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
PubChem CID103370846
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)OC(CO)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-6-2-16(3-7(5-17)18-6)4-8(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15)
InChIKeyVCYJXFITXFYTTQ-UHFFFAOYSA-N
XLogP0.18
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.18
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'}

Analyze 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methylmorpholin-2-yl]methanol
CID 103366491
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
2-[(2,6-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370528
3,3,3-Trifluoro-2-[(2-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370531
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-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370834
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3,3,3-trifluoropropanimidamide
CID 103370837

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide (CID 103370846) is 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CC(C)OC(CO)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide?
The InChIKey is VCYJXFITXFYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-6-2-16(3-7(5-17)18-6)4-8(9(14)15)10(11,12)13/h6-8,17H,2-5H2,1H3,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide has a molecular weight of 269.27 g/mol, XLogP of 0.18, 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-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).