3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide

C7H14F3N3O2 — CID 103229534

IUPAC3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-13(4-7(8,9)10)5(3-15-2)6(14)12-11/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyQFEUSXKCADSHOM-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.51
Rot. Bonds5

About 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide

3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide (PubChem CID 103229534) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
PubChem CID103229534
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC Name3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCOCC(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c1-13(4-7(8,9)10)5(3-15-2)6(14)12-11/h5H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyQFEUSXKCADSHOM-UHFFFAOYSA-N
XLogP-0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide 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

2-[2-hydroxyethyl(methyl)amino]-3-methoxypropanehydrazide
CID 103229552
3-methoxy-2-[methyl(2-methylpropyl)amino]propanehydrazide
CID 103229498
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanehydrazide
CID 103229676
3-methoxy-2-[methyl(3-methylbutyl)amino]propanehydrazide
CID 103229666
2-[(1-hydrazinyl-3-methoxy-1-oxopropan-2-yl)-methylamino]-N-methylacetamide
CID 103229508
2-[ethyl(2-methoxyethyl)amino]-3-methoxypropanehydrazide
CID 103229639
methyl (2S)-3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 163557686
3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
CID 103229662
2-[2-methoxyethyl(methyl)amino]pentanehydrazide
CID 83048197
2-[3-hydroxypropyl(propan-2-yl)amino]-3-methoxypropanehydrazide
CID 103229681
methyl 2-(dimethylamino)-3-methoxypropanoate
CID 59922480
2-(2,2-difluoroethoxy)-3-methoxypropanehydrazide
CID 103229391

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The IUPAC name of 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide (CID 103229534) is 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide is COCC(C(=O)NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The InChIKey is QFEUSXKCADSHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c1-13(4-7(8,9)10)5(3-15-2)6(14)12-11/h5H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide has a molecular weight of 229.20 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide is sourced from PubChem (CID 103229534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).