2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide

C12H16F3N3O — CID 63583548

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(19)17-16/h3-6H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyVCCBIFVLUFCCIR-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.67
Rot. Bonds5

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide (PubChem CID 63583548) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
PubChem CID63583548
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
SMILESCCN(Cc1ccccc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(19)17-16/h3-6H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyVCCBIFVLUFCCIR-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 107493149
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
2-[(N-ethyl-4-fluoroanilino)methyl]benzohydrazide
CID 63584881
2-[[bis(cyanomethyl)amino]methyl]benzohydrazide
CID 55214787
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenoxy]propanoic acid
CID 91791039
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-propylbenzohydrazide
CID 140653675
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide (CID 63583548) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide is CCN(Cc1ccccc1C(=O)NN)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The InChIKey is VCCBIFVLUFCCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(19)17-16/h3-6H,2,7-8,16H2,1H3,(H,17,19).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide has a molecular weight of 275.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 63583548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).