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

C12H16F3N3O2 — CID 107493149

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-18(5-6-19)7-9-3-1-2-4-10(9)11(20)17-16/h1-4,19H,5-8,16H2,(H,17,20)
InChIKeyNMINLCORVSSFTE-UHFFFAOYSA-N
MW291.27 g/mol
LogP0.65
Rot. Bonds6

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

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide (PubChem CID 107493149) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
PubChem CID107493149
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
SMILESNNC(=O)c1ccccc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)8-18(5-6-19)7-9-3-1-2-4-10(9)11(20)17-16/h1-4,19H,5-8,16H2,(H,17,20)
InChIKeyNMINLCORVSSFTE-UHFFFAOYSA-N
XLogP0.65
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 50.65
H-Bond Donors ≤ 53
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 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide with MolForge

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Related Compounds

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[[bis(cyanomethyl)amino]methyl]benzohydrazide
CID 55214787
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
CID 55227180
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
CID 114198835
4-fluoro-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480934
3-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63639704
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
5-fluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 107480310

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide (CID 107493149) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide is NNC(=O)c1ccccc1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
The InChIKey is NMINLCORVSSFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)8-18(5-6-19)7-9-3-1-2-4-10(9)11(20)17-16/h1-4,19H,5-8,16H2,(H,17,20).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide has a molecular weight of 291.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide is sourced from PubChem (CID 107493149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).