[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine

C13H14BrFN2S — CID 105299497

IUPAC[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2sccc2Br)NN)c(F)c1
InChIInChI=1S/C13H14BrFN2S/c1-8-2-3-9(11(15)6-8)12(17-16)7-13-10(14)4-5-18-13/h2-6,12,17H,7,16H2,1H3
InChIKeyOASKPAQYKOYHSK-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.71
Rot. Bonds4

About [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine

[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine (PubChem CID 105299497) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
PubChem CID105299497
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
SMILESCc1ccc(C(Cc2sccc2Br)NN)c(F)c1
InChIInChI=1S/C13H14BrFN2S/c1-8-2-3-9(11(15)6-8)12(17-16)7-13-10(14)4-5-18-13/h2-6,12,17H,7,16H2,1H3
InChIKeyOASKPAQYKOYHSK-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.71
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-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572
[2-(3-bromothiophen-2-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200816
[2-(3-bromothiophen-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105299502
[2-(3-bromothiophen-2-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105299564
[2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105324778
[2-(2,6-difluorophenyl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105342843
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
2-[2-(3-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223929
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305467
[1-(2-fluoro-4-methylphenyl)-3-methylbutyl]hydrazine
CID 105282720

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine (CID 105299497) is [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine is Cc1ccc(C(Cc2sccc2Br)NN)c(F)c1.
What is the InChIKey of [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine?
The InChIKey is OASKPAQYKOYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-8-2-3-9(11(15)6-8)12(17-16)7-13-10(14)4-5-18-13/h2-6,12,17H,7,16H2,1H3.
What are the key properties of [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine?
[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine has a molecular weight of 329.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105299497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).