2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide

C9H9F3N2O2S — CID 2800846

IUPAC2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2S/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)
InChIKeyUJNCGSISLQLEDB-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.67
Rot. Bonds4

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

2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide (PubChem CID 2800846) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide.

Molecular Properties

Compound Name2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
PubChem CID2800846
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide
SMILESNNC(=O)COc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2O2S/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)
InChIKeyUJNCGSISLQLEDB-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.67
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-(trifluoromethylsulfanyl)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

methyl 2-[4-(trifluoromethylsulfanyl)phenoxy]acetate
CID 2800845
2-(4-methylsulfanylphenoxy)acetohydrazide
CID 16656066
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
N'-[2-[4-(trifluoromethylsulfanyl)phenoxy]acetyl]benzohydrazide
CID 100994103
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55893443
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
2-(2-tert-butyl-4-methoxyphenoxy)acetohydrazide
CID 63576141
2,3-dihydroxybutanedioic acid;bis(2-(4-methylphenoxy)acetohydrazide)
CID 19169514
[2-oxo-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl] acetate
CID 146008528
[4-(trifluoromethylsulfanyl)anilino] acetate
CID 141373039

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide?
The IUPAC name of 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide (CID 2800846) is 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide.
What is the SMILES notation for 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide?
The canonical SMILES for 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide is NNC(=O)COc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide?
The InChIKey is UJNCGSISLQLEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/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-(trifluoromethylsulfanyl)phenoxy]acetohydrazide?
2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide has a molecular weight of 266.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethylsulfanyl)phenoxy]acetohydrazide is sourced from PubChem (CID 2800846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).