[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine

C12H11Br2FN2S — CID 105302870

IUPAC[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H11Br2FN2S/c1-6-2-3-9(15)7(4-6)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3
InChIKeyMPOHYXIEJRHFMA-UHFFFAOYSA-N
MW394.11 g/mol
LogP4.27
Rot. Bonds3

About [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine

[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine (PubChem CID 105302870) has the molecular formula C12H11Br2FN2S and a molecular weight of 394.11 g/mol. Its IUPAC name is [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
PubChem CID105302870
Molecular FormulaC12H11Br2FN2S
Molecular Weight394.11 g/mol
Exact Mass391.90
IUPAC Name[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
SMILESCc1ccc(F)c(C(NN)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H11Br2FN2S/c1-6-2-3-9(15)7(4-6)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3
InChIKeyMPOHYXIEJRHFMA-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 54.27
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-fluoro-5-methylphenyl)-thiophen-2-ylmethyl]hydrazine
CID 105193545
[(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302771
N-[(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 79992193
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
[(2-fluoro-5-methylphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194262
[(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318815
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
N-[(4-bromo-5-chlorothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 102828532
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601
2,3-dibromo-5-[bromo-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80534660
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
[(3-bromo-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105267988

Frequently Asked Questions

What is the IUPAC name of [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine?
The IUPAC name of [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine (CID 105302870) is [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine is Cc1ccc(F)c(C(NN)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine?
The InChIKey is MPOHYXIEJRHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2FN2S/c1-6-2-3-9(15)7(4-6)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3.
What are the key properties of [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine?
[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine has a molecular weight of 394.11 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105302870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).