[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine

C12H11BrClFN2S — CID 107996956

IUPAC[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11BrClFN2S/c13-8-4-9(18-6-8)5-12(17-16)7-1-2-10(14)11(15)3-7/h1-4,6,12,17H,5,16H2
InChIKeyPGWLBXFPOQRCDF-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.05
Rot. Bonds4

About [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine

[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine (PubChem CID 107996956) has the molecular formula C12H11BrClFN2S and a molecular weight of 349.66 g/mol. Its IUPAC name is [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine
PubChem CID107996956
Molecular FormulaC12H11BrClFN2S
Molecular Weight349.66 g/mol
Exact Mass347.95
IUPAC Name[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cc(Br)cs1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H11BrClFN2S/c13-8-4-9(18-6-8)5-12(17-16)7-1-2-10(14)11(15)3-7/h1-4,6,12,17H,5,16H2
InChIKeyPGWLBXFPOQRCDF-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-(4-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105193124
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240
[1-(4-chloro-3-fluorophenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 107997063
[2-(4-bromothiophen-2-yl)-1-(3-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105257514
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
[1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107997442
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
1-(4-chloro-3-fluorophenyl)but-3-enylhydrazine
CID 107996762
[1-(3-bromo-5-fluorophenyl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 114013693
[2-(4-bromothiophen-2-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252540
[2-(4-bromothiophen-2-yl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105299378
2-(4-bromothiophen-2-yl)-N-ethyl-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55186994

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine (CID 107996956) is [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine is NNC(Cc1cc(Br)cs1)c1ccc(Cl)c(F)c1.
What is the InChIKey of [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine?
The InChIKey is PGWLBXFPOQRCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN2S/c13-8-4-9(18-6-8)5-12(17-16)7-1-2-10(14)11(15)3-7/h1-4,6,12,17H,5,16H2.
What are the key properties of [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine?
[2-(4-bromothiophen-2-yl)-1-(4-chloro-3-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 [2-(4-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 107996956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).