[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

C12H12BrFN2OS — CID 103397557

IUPAC[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(Br)cs2)c(F)c1
InChIInChI=1S/C12H12BrFN2OS/c1-17-8-2-3-9(10(14)5-8)12(16-15)11-4-7(13)6-18-11/h2-6,12,16H,15H2,1H3
InChIKeyWHLHUMPHCCLTPY-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.21
Rot. Bonds4

About [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine

[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 103397557) has the molecular formula C12H12BrFN2OS and a molecular weight of 331.21 g/mol. Its IUPAC name is [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID103397557
Molecular FormulaC12H12BrFN2OS
Molecular Weight331.21 g/mol
Exact Mass329.98
IUPAC Name[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2cc(Br)cs2)c(F)c1
InChIInChI=1S/C12H12BrFN2OS/c1-17-8-2-3-9(10(14)5-8)12(16-15)11-4-7(13)6-18-11/h2-6,12,16H,15H2,1H3
InChIKeyWHLHUMPHCCLTPY-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
[(4-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397835
[(4-bromo-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397690
[1-benzothiophen-3-yl-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397828
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
[(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106765355
[(3,5-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397720
[(4-bromo-3-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397729
[(4-fluoro-2-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105302541
[(4-bromo-2-fluorophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105280937
[(4-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397737
[(4-bromothiophen-2-yl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105222663

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 103397557) is [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2cc(Br)cs2)c(F)c1.
What is the InChIKey of [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is WHLHUMPHCCLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2OS/c1-17-8-2-3-9(10(14)5-8)12(16-15)11-4-7(13)6-18-11/h2-6,12,16H,15H2,1H3.
What are the key properties of [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine?
[(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 331.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103397557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).