2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline

C11H16F3N3O — CID 145194961

IUPAC2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline
SMILESCC(C=O)NN.CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N.C3H8N2O/c1-12-7-4-2-6(3-5-7)8(9,10)11;1-3(2-6)5-4/h2-5,12H,1H3;2-3,5H,4H2,1H3
InChIKeyCHGVDGGPUBEETK-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.78
Rot. Bonds3

About 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline

2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline (PubChem CID 145194961) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline
PubChem CID145194961
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline
SMILESCC(C=O)NN.CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N.C3H8N2O/c1-12-7-4-2-6(3-5-7)8(9,10)11;1-3(2-6)5-4/h2-5,12H,1H3;2-3,5H,4H2,1H3
InChIKeyCHGVDGGPUBEETK-UHFFFAOYSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline (CID 145194961) is 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline is CC(C=O)NN.CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is CHGVDGGPUBEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C3H8N2O/c1-12-7-4-2-6(3-5-7)8(9,10)11;1-3(2-6)5-4/h2-5,12H,1H3;2-3,5H,4H2,1H3.
What are the key properties of 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline?
2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 263.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpropanal;N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 145194961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).