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

C12H12FIN2OS — CID 105329391

IUPAC[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2csc(I)c2)c1F
InChIInChI=1S/C12H12FIN2OS/c1-17-9-4-2-3-8(11(9)13)12(16-15)7-5-10(14)18-6-7/h2-6,12,16H,15H2,1H3
InChIKeyVXBCSRFHCIJQSR-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.05
Rot. Bonds4

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

[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine (PubChem CID 105329391) has the molecular formula C12H12FIN2OS and a molecular weight of 378.21 g/mol. Its IUPAC name is [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
PubChem CID105329391
Molecular FormulaC12H12FIN2OS
Molecular Weight378.21 g/mol
Exact Mass377.97
IUPAC Name[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2csc(I)c2)c1F
InChIInChI=1S/C12H12FIN2OS/c1-17-9-4-2-3-8(11(9)13)12(16-15)7-5-10(14)18-6-7/h2-6,12,16H,15H2,1H3
InChIKeyVXBCSRFHCIJQSR-UHFFFAOYSA-N
XLogP3.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,3-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105309400
[(3-bromo-2-fluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 106649932
[(3-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329294
[(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329407
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
[2,3-dihydro-1H-inden-5-yl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329340
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105035474
[(5-iodothiophen-3-yl)-(3-methylphenyl)methyl]hydrazine
CID 105284942
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[(2-bromo-4-methylphenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329304
[1-benzofuran-3-yl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105262431
[(3,5-difluorophenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105301893

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine (CID 105329391) is [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine is COc1cccc(C(NN)c2csc(I)c2)c1F.
What is the InChIKey of [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
The InChIKey is VXBCSRFHCIJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN2OS/c1-17-9-4-2-3-8(11(9)13)12(16-15)7-5-10(14)18-6-7/h2-6,12,16H,15H2,1H3.
What are the key properties of [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine?
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine has a molecular weight of 378.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 105329391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).