[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine

C13H14BrFN2OS — CID 105290517

IUPAC[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccsc1C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C13H14BrFN2OS/c1-18-12-4-5-19-13(12)11(17-16)7-8-2-3-10(15)9(14)6-8/h2-6,11,17H,7,16H2,1H3
InChIKeyAGVSRSMJQLZFQZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.41
Rot. Bonds5

About [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine

[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine (PubChem CID 105290517) has the molecular formula C13H14BrFN2OS and a molecular weight of 345.24 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
PubChem CID105290517
Molecular FormulaC13H14BrFN2OS
Molecular Weight345.24 g/mol
Exact Mass344.00
IUPAC Name[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccsc1C(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C13H14BrFN2OS/c1-18-12-4-5-19-13(12)11(17-16)7-8-2-3-10(15)9(14)6-8/h2-6,11,17H,7,16H2,1H3
InChIKeyAGVSRSMJQLZFQZ-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.41
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-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
[2-(4-iodophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105310401
[2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethyl]hydrazine
CID 106794039
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
[2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105203976
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 106274257
2-[1-chloro-2-(3,4-difluorophenyl)ethyl]-3-methoxythiophene
CID 81129991
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine (CID 105290517) is [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine is COc1ccsc1C(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The InChIKey is AGVSRSMJQLZFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2OS/c1-18-12-4-5-19-13(12)11(17-16)7-8-2-3-10(15)9(14)6-8/h2-6,11,17H,7,16H2,1H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine has a molecular weight of 345.24 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105290517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).