[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine

C12H16BrFN2S — CID 105296758

IUPAC[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Br)C1CCSC1
InChIInChI=1S/C12H16BrFN2S/c13-11-6-10(14)2-1-8(11)5-12(16-15)9-3-4-17-7-9/h1-2,6,9,12,16H,3-5,7,15H2
InChIKeyZKZDJLDHPWQNPY-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.72
Rot. Bonds4

About [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine

[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine (PubChem CID 105296758) has the molecular formula C12H16BrFN2S and a molecular weight of 319.24 g/mol. Its IUPAC name is [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
PubChem CID105296758
Molecular FormulaC12H16BrFN2S
Molecular Weight319.24 g/mol
Exact Mass318.02
IUPAC Name[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Br)C1CCSC1
InChIInChI=1S/C12H16BrFN2S/c13-11-6-10(14)2-1-8(11)5-12(16-15)9-3-4-17-7-9/h1-2,6,9,12,16H,3-5,7,15H2
InChIKeyZKZDJLDHPWQNPY-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine 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-(2-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233141
[2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233480
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005620
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
1-(2-bromo-4-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105136332
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444804
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344
[2-(4-propan-2-ylphenyl)-1-(thiolan-3-yl)ethyl]hydrazine
CID 105297335

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine (CID 105296758) is [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine is NNC(Cc1ccc(F)cc1Br)C1CCSC1.
What is the InChIKey of [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine?
The InChIKey is ZKZDJLDHPWQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2S/c13-11-6-10(14)2-1-8(11)5-12(16-15)9-3-4-17-7-9/h1-2,6,9,12,16H,3-5,7,15H2.
What are the key properties of [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine?
[2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine has a molecular weight of 319.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-fluorophenyl)-1-(thiolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105296758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).