3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide

C8H13F6N3O2 — CID 107480162

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILESNC(=NO)C(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O2/c9-7(10,11)4-17(1-2-18)3-5(6(15)16-19)8(12,13)14/h5,18-19H,1-4H2,(H2,15,16)
InChIKeyZHTOQGTXZYXZMT-UHFFFAOYSA-N
MW297.20 g/mol
LogP0.77
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (PubChem CID 107480162) has the molecular formula C8H13F6N3O2 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
PubChem CID107480162
Molecular FormulaC8H13F6N3O2
Molecular Weight297.20 g/mol
Exact Mass297.09
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILESNC(=NO)C(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O2/c9-7(10,11)4-17(1-2-18)3-5(6(15)16-19)8(12,13)14/h5,18-19H,1-4H2,(H2,15,16)
InChIKeyZHTOQGTXZYXZMT-UHFFFAOYSA-N
XLogP0.77
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 50.77
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)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-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76204705
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76204946
N'-hydroxy-3-[2-methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 76917229
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103369268
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369300

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (CID 107480162) is 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is NC(=NO)C(CN(CCO)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The InChIKey is ZHTOQGTXZYXZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N3O2/c9-7(10,11)4-17(1-2-18)3-5(6(15)16-19)8(12,13)14/h5,18-19H,1-4H2,(H2,15,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide has a molecular weight of 297.20 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 107480162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).