3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide

C8H16F3N3O — CID 103370707

IUPAC3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC(C)O)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(15)3-14(2)4-6(7(12)13)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H3,12,13)
InChIKeyYIRAXLLBWKKWGY-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.41
Rot. Bonds5

About 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide (PubChem CID 103370707) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
PubChem CID103370707
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC(C)O)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(15)3-14(2)4-6(7(12)13)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H3,12,13)
InChIKeyYIRAXLLBWKKWGY-UHFFFAOYSA-N
XLogP0.41
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878
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
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103369394
3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide (CID 103370707) is 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CC(C)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide?
The InChIKey is YIRAXLLBWKKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-5(15)3-14(2)4-6(7(12)13)8(9,10)11/h5-6,15H,3-4H2,1-2H3,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.41, 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-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).