[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine

C12H12BrFN2S — CID 105222042

IUPAC[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C12H12BrFN2S/c1-7-6-8(2-3-9(7)14)12(16-15)10-4-5-11(13)17-10/h2-6,12,16H,15H2,1H3
InChIKeyBJMNPPZRYPYDTG-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.51
Rot. Bonds3

About [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine

[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine (PubChem CID 105222042) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
PubChem CID105222042
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(Br)s2)ccc1F
InChIInChI=1S/C12H12BrFN2S/c1-7-6-8(2-3-9(7)14)12(16-15)10-4-5-11(13)17-10/h2-6,12,16H,15H2,1H3
InChIKeyBJMNPPZRYPYDTG-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.51
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

[(4-fluoro-3-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105302551
[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304993
[2-(5-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203973
[(3-fluoro-4-methylphenyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105201488
[(4-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105193237
[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
[(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204027
[(5-bromothiophen-2-yl)-phenylmethyl]hydrazine
CID 105221995
[(3-bromo-5-chlorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 107948189
[(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204191
[(5-bromothiophen-2-yl)-(4-phenylphenyl)methyl]hydrazine
CID 105222044
[(5-bromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 102759536

Frequently Asked Questions

What is the IUPAC name of [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine (CID 105222042) is [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine is Cc1cc(C(NN)c2ccc(Br)s2)ccc1F.
What is the InChIKey of [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine?
The InChIKey is BJMNPPZRYPYDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-7-6-8(2-3-9(7)14)12(16-15)10-4-5-11(13)17-10/h2-6,12,16H,15H2,1H3.
What are the key properties of [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine?
[(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine has a molecular weight of 315.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105222042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).