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

C10H18F3N3O3 — CID 106299226

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c11-10(12,13)7(8(14)16-18)5-15-9(6-17)1-3-19-4-2-9/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeyDDTBIQWEEUJBBE-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.04
Rot. Bonds5

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

3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide (PubChem CID 106299226) 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-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
PubChem CID106299226
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide
SMILESNC(=NO)C(CNC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c11-10(12,13)7(8(14)16-18)5-15-9(6-17)1-3-19-4-2-9/h7,15,17-18H,1-6H2,(H2,14,16)
InChIKeyDDTBIQWEEUJBBE-UHFFFAOYSA-N
XLogP0.04
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.04
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-[[[4-(hydroxymethyl)oxan-4-yl]amino]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-[(oxan-4-ylamino)methyl]propanimidamide
CID 103369647
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]propanimidamide
CID 103369887
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanimidamide
CID 103370017
3,3,3-trifluoro-N'-hydroxy-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]propanimidamide
CID 103370209
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]propanimidamide
CID 106177160
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]propanimidamide
CID 113807988
3,3,3-trifluoro-N'-hydroxy-2-[[(4-methyloxan-4-yl)amino]methyl]propanimidamide
CID 113808066
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-4-methoxybutan-2-yl)amino]methyl]propanimidamide
CID 114210721
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]butanimidamide
CID 106299233
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanimidamide
CID 106299249
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propanimidamide
CID 106299253
N'-hydroxy-3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanimidamide
CID 106299255

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide (CID 106299226) is 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide is NC(=NO)C(CNC1(CO)CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide?
The InChIKey is DDTBIQWEEUJBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c11-10(12,13)7(8(14)16-18)5-15-9(6-17)1-3-19-4-2-9/h7,15,17-18H,1-6H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide has a molecular weight of 285.27 g/mol, XLogP of 0.04, 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-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanimidamide is sourced from PubChem (CID 106299226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).