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

C9H16F3N3O3 — CID 103370219

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCOCC1CO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)7(8(13)14-17)3-15-1-2-18-5-6(15)4-16/h6-7,16-17H,1-5H2,(H2,13,14)
InChIKeyJXCKOZCEEQPIMS-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.40
Rot. Bonds4

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

3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide (PubChem CID 103370219) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
PubChem CID103370219
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
SMILESNC(=NO)C(CN1CCOCC1CO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)7(8(13)14-17)3-15-1-2-18-5-6(15)4-16/h6-7,16-17H,1-5H2,(H2,13,14)
InChIKeyJXCKOZCEEQPIMS-UHFFFAOYSA-N
XLogP-0.40
TPSA91.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.40
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-(morpholin-4-ylmethyl)propanimidamide
CID 103369204
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-[(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
2-[(3,3-dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369305
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369347
3,3,3-trifluoro-N'-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]propanimidamide
CID 103369351
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369358
3,3,3-trifluoro-N'-hydroxy-2-[(3-morpholin-4-ylpropylamino)methyl]propanimidamide
CID 103369612
3,3,3-trifluoro-N'-hydroxy-2-[(1-morpholin-4-ylpropan-2-ylamino)methyl]propanimidamide
CID 103369858

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide (CID 103370219) is 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide is NC(=NO)C(CN1CCOCC1CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The InChIKey is JXCKOZCEEQPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c10-9(11,12)7(8(13)14-17)3-15-1-2-18-5-6(15)4-16/h6-7,16-17H,1-5H2,(H2,13,14).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide has a molecular weight of 271.24 g/mol, XLogP of -0.40, 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-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).