2-[3-(trifluoromethyl)phenoxy]acetohydrazide

C9H9F3N2O2 — CID 3757147

IUPAC2-[3-(trifluoromethyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyCVXTVRVYODCHAX-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.07
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenoxy]acetohydrazide

2-[3-(trifluoromethyl)phenoxy]acetohydrazide (PubChem CID 3757147) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]acetohydrazide
PubChem CID3757147
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[3-(trifluoromethyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)
InChIKeyCVXTVRVYODCHAX-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.07
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'}

Analyze 2-[3-(trifluoromethyl)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-(1-Naphthyloxy)acetohydrazide
CID 729938
4-Fluorophenoxyacetic acid hydrazide
CID 735834
2-Phenoxyacetohydrazide
CID 101390
2-(3-Methylphenoxy)acetic acid hydrazide
CID 215800
2-(2-Fluorophenoxy)propanoic acid hydrazide
CID 3865677
2-(4-Methoxyphenoxy)acetohydrazide
CID 691094
2-(4-Methylphenoxy)acetohydrazide
CID 692242
2-(2-Methylphenoxy)acetohydrazide
CID 692247
2-(2-Naphthyloxy)acetohydrazide
CID 720883
N'-[2-(2,5-dimethylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 2677291
N'-formyl-2-(2-methylphenoxy)acetohydrazide
CID 3118470
5-[(3-Ethylphenoxy)methyl]-1,2-dihydropyrazol-3-one
CID 56945438

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenoxy]acetohydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]acetohydrazide (CID 3757147) is 2-[3-(trifluoromethyl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]acetohydrazide is NNC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]acetohydrazide?
The InChIKey is CVXTVRVYODCHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15).
What are the key properties of 2-[3-(trifluoromethyl)phenoxy]acetohydrazide?
2-[3-(trifluoromethyl)phenoxy]acetohydrazide has a molecular weight of 234.18 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenoxy]acetohydrazide is sourced from PubChem (CID 3757147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).