3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide

C9H16F3N3O3 — CID 106101833

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)6(7(13)15-17)3-14-4-8(16)1-2-18-5-8/h6,14,16-17H,1-5H2,(H2,13,15)
InChIKeyJCIKFXDTKXJXQW-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.35
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide (PubChem CID 106101833) 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-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
PubChem CID106101833
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
SMILESNC(=NO)C(CNCC1(O)CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3N3O3/c10-9(11,12)6(7(13)15-17)3-14-4-8(16)1-2-18-5-8/h6,14,16-17H,1-5H2,(H2,13,15)
InChIKeyJCIKFXDTKXJXQW-UHFFFAOYSA-N
XLogP-0.35
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 103370159
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863
3,3,3-trifluoro-N'-hydroxy-2-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]propanimidamide
CID 106256620
3,3,3-trifluoro-N'-hydroxy-2-[(oxolan-3-ylmethylamino)methyl]propanimidamide
CID 113808004
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762100
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]propanimidamide
CID 106101826
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]butanimidamide
CID 106101836
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 106101844
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 106101845
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]butanimidamide
CID 106101848

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide (CID 106101833) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide is NC(=NO)C(CNCC1(O)CCOC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The InChIKey is JCIKFXDTKXJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c10-9(11,12)6(7(13)15-17)3-14-4-8(16)1-2-18-5-8/h6,14,16-17H,1-5H2,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide has a molecular weight of 271.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 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-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 106101833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).