[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine

C12H12BrFN2O2 — CID 105329407

IUPAC[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2ccc(Br)o2)c1F
InChIInChI=1S/C12H12BrFN2O2/c1-17-8-4-2-3-7(11(8)14)12(16-15)9-5-6-10(13)18-9/h2-6,12,16H,15H2,1H3
InChIKeyRNWNURKZGYQSQK-UHFFFAOYSA-N
MW315.14 g/mol
LogP2.74
Rot. Bonds4

About [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine

[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine (PubChem CID 105329407) has the molecular formula C12H12BrFN2O2 and a molecular weight of 315.14 g/mol. Its IUPAC name is [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
PubChem CID105329407
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
Exact Mass314.01
IUPAC Name[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2ccc(Br)o2)c1F
InChIInChI=1S/C12H12BrFN2O2/c1-17-8-4-2-3-7(11(8)14)12(16-15)9-5-6-10(13)18-9/h2-6,12,16H,15H2,1H3
InChIKeyRNWNURKZGYQSQK-UHFFFAOYSA-N
XLogP2.74
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 52.74
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

[(2-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329304
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
[(3-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329294
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[1-benzofuran-3-yl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105262431
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391
[(2-fluoro-3-methoxyphenyl)-(3-methyl-4-pyridinyl)methyl]hydrazine
CID 105261827
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105208713
1-(5-bromofuran-2-yl)-1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
CID 81264965
bis(2-methoxyphenyl)methylhydrazine
CID 105191029
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936

Frequently Asked Questions

What is the IUPAC name of [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine (CID 105329407) is [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine is COc1cccc(C(NN)c2ccc(Br)o2)c1F.
What is the InChIKey of [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine?
The InChIKey is RNWNURKZGYQSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2/c1-17-8-4-2-3-7(11(8)14)12(16-15)9-5-6-10(13)18-9/h2-6,12,16H,15H2,1H3.
What are the key properties of [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine?
[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine has a molecular weight of 315.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105329407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).