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

C10H18F3N3O3 — CID 103370159

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
SMILESCOC1(CNCC(C(N)=NO)C(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3N3O3/c1-18-9(2-3-19-6-9)5-15-4-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16)
InChIKeyPOJCGQWCMNAZHT-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.31
Rot. Bonds6

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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide (PubChem CID 103370159) 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-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
PubChem CID103370159
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
SMILESCOC1(CNCC(C(N)=NO)C(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3N3O3/c1-18-9(2-3-19-6-9)5-15-4-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16)
InChIKeyPOJCGQWCMNAZHT-UHFFFAOYSA-N
XLogP0.31
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.31
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'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-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-methyloxolan-3-yl)amino]methyl]propanimidamide
CID 103370185
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101833
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
2-[(2,3-dimethoxypropylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 114100374
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 104762093
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
CID 104762095
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide (CID 103370159) is 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide is COC1(CNCC(C(N)=NO)C(F)(F)F)CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide?
The InChIKey is POJCGQWCMNAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-18-9(2-3-19-6-9)5-15-4-7(8(14)16-17)10(11,12)13/h7,15,17H,2-6H2,1H3,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide has a molecular weight of 285.27 g/mol, XLogP of 0.31, 6 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-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).