[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine

C12H11BrClFN2S — CID 102623486

IUPAC[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Cl)c1sccc1Br
InChIInChI=1S/C12H11BrClFN2S/c13-9-3-4-18-12(9)11(17-16)6-7-5-8(15)1-2-10(7)14/h1-5,11,17H,6,16H2
InChIKeyOLKBAFDNOOLLGN-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.05
Rot. Bonds4

About [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine

[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine (PubChem CID 102623486) has the molecular formula C12H11BrClFN2S and a molecular weight of 349.66 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
PubChem CID102623486
Molecular FormulaC12H11BrClFN2S
Molecular Weight349.66 g/mol
Exact Mass347.95
IUPAC Name[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Cl)c1sccc1Br
InChIInChI=1S/C12H11BrClFN2S/c13-9-3-4-18-12(9)11(17-16)6-7-5-8(15)1-2-10(7)14/h1-5,11,17H,6,16H2
InChIKeyOLKBAFDNOOLLGN-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.05
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'}

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Related Compounds

[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
[1-(3-bromo-2-chlorophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 102623531
[(3-bromothiophen-2-yl)-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215506
[2-(2-chloro-5-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 102623524
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
[2-(2-chloro-5-fluorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 102623237
N-[2-(2-chloro-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102622832
1-(3-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 113298218
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
[2-(2-chloro-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 102623484

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine (CID 102623486) is [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine is NNC(Cc1cc(F)ccc1Cl)c1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
The InChIKey is OLKBAFDNOOLLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2S/c13-9-3-4-18-12(9)11(17-16)6-7-5-8(15)1-2-10(7)14/h1-5,11,17H,6,16H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine?
[1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine has a molecular weight of 349.66 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-2-(2-chloro-5-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 102623486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).