3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide

C7H11F6N3O — CID 103369771

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6N3O/c8-6(9,10)1-2-15-3-4(5(14)16-17)7(11,12)13/h4,15,17H,1-3H2,(H2,14,16)
InChIKeyJAMGFZGDLUMYMO-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.45
Rot. Bonds5

About 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide (PubChem CID 103369771) has the molecular formula C7H11F6N3O and a molecular weight of 267.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide
PubChem CID103369771
Molecular FormulaC7H11F6N3O
Molecular Weight267.17 g/mol
Exact Mass267.08
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6N3O/c8-6(9,10)1-2-15-3-4(5(14)16-17)7(11,12)13/h4,15,17H,1-3H2,(H2,14,16)
InChIKeyJAMGFZGDLUMYMO-UHFFFAOYSA-N
XLogP1.45
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3,3,3-trifluoropropylamino)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

N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 60890994
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910852
N'-hydroxy-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029131
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylamino)propanimidamide
CID 77029332
N'-hydroxy-4-(2,2,2-trifluoroethylamino)butanimidamide
CID 77029976
N'-hydroxy-4-(3,3,3-trifluoropropylamino)butanimidamide
CID 77030934
N'-hydroxy-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032720
N'-hydroxy-2-methyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77032721
2-[(dimethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369233
2-[[ethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369243
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
CID 103369275
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369357

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide (CID 103369771) is 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide is NC(=NO)C(CNCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide?
The InChIKey is JAMGFZGDLUMYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6N3O/c8-6(9,10)1-2-15-3-4(5(14)16-17)7(11,12)13/h4,15,17H,1-3H2,(H2,14,16).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide has a molecular weight of 267.17 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(3,3,3-trifluoropropylamino)methyl]propanimidamide is sourced from PubChem (CID 103369771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).