2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C10H9F3N2O2 — CID 135468690

IUPAC2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)C(F)(F)F)c1ccccc1O
InChIInChI=1S/C10H9F3N2O2/c1-6(7-4-2-3-5-8(7)16)14-15-9(17)10(11,12)13/h2-5,16H,1H3,(H,15,17)/b14-6+
InChIKeyJNEQOERPUIQTDI-MKMNVTDBSA-N
MW246.19 g/mol
LogP1.79
Rot. Bonds2

About 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 135468690) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID135468690
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)C(F)(F)F)c1ccccc1O
InChIInChI=1S/C10H9F3N2O2/c1-6(7-4-2-3-5-8(7)16)14-15-9(17)10(11,12)13/h2-5,16H,1H3,(H,15,17)/b14-6+
InChIKeyJNEQOERPUIQTDI-MKMNVTDBSA-N
XLogP1.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 135520028
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
6-(2-Hydroxyphenyl)-3(2H)-pyridazinone
CID 3017346
2-{(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl}-2-oxoacetamide
CID 135510253
N'~1~,N'~2~-bis[1-(3-hydroxyphenyl)ethylidene]ethanedihydrazide
CID 9628663
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
3-(2-hydroxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3770507
2-(1-(2-Hydroxyphenyl)ethylidene)hydrazinecarboxamide
CID 135504716
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
6-(2-Hydroxyphenyl)-2,3,4,5-tetrahydropyridazin-3-one
CID 135731742
Acetic acid, cyano-, salicylidenehydrazide
CID 135455293

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 135468690) is 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)C(F)(F)F)c1ccccc1O.
What is the InChIKey of 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is JNEQOERPUIQTDI-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c1-6(7-4-2-3-5-8(7)16)14-15-9(17)10(11,12)13/h2-5,16H,1H3,(H,15,17)/b14-6+.
What are the key properties of 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 246.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135468690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).