2-[4-(trifluoromethoxy)phenoxy]acetohydrazide

C9H9F3N2O3 — CID 2777305

IUPAC2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-3-1-6(2-4-7)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyLBBKIDVFMPXFOD-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide

2-[4-(trifluoromethoxy)phenoxy]acetohydrazide (PubChem CID 2777305) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
PubChem CID2777305
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-3-1-6(2-4-7)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyLBBKIDVFMPXFOD-UHFFFAOYSA-N
XLogP0.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.95
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 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide 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-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
CID 2800846
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
2-(4-chlorophenoxy)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]acetamide
CID 4996194

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide?
The IUPAC name of 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide (CID 2777305) is 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide is NNC(=O)COc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide?
The InChIKey is LBBKIDVFMPXFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)17-7-3-1-6(2-4-7)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide?
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide has a molecular weight of 250.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenoxy]acetohydrazide is sourced from PubChem (CID 2777305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).