[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

C12H11BrFIN2S — CID 105297096

IUPAC[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)c1csc(I)c1
InChIInChI=1S/C12H11BrFIN2S/c13-10-2-1-9(14)3-7(10)4-11(17-16)8-5-12(15)18-6-8/h1-3,5-6,11,17H,4,16H2
InChIKeyKVWZQWQWLOYULQ-UHFFFAOYSA-N
MW441.11 g/mol
LogP4.00
Rot. Bonds4

About [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine

[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (PubChem CID 105297096) has the molecular formula C12H11BrFIN2S and a molecular weight of 441.11 g/mol. Its IUPAC name is [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
PubChem CID105297096
Molecular FormulaC12H11BrFIN2S
Molecular Weight441.11 g/mol
Exact Mass439.89
IUPAC Name[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Br)c1csc(I)c1
InChIInChI=1S/C12H11BrFIN2S/c13-10-2-1-9(14)3-7(10)4-11(17-16)8-5-12(15)18-6-8/h1-3,5-6,11,17H,4,16H2
InChIKeyKVWZQWQWLOYULQ-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.11
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-bromo-5-fluorophenyl)-1-(5-bromothiophen-3-yl)ethyl]hydrazine
CID 105297094
[2-(2-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105207928
[2-(2-bromo-5-fluorophenyl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197170
[1-(5-bromothiophen-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105377982
[1-(4-bromo-3-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105297052
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
[2-(2-bromo-5-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203759
[2-(2-bromo-5-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
CID 107948135
[2-(2-bromo-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105297119
[2-(2-bromo-5-fluorophenyl)-1-(4-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280999
[2-(3,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105290057
[2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269473

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine (CID 105297096) is [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is NNC(Cc1cc(F)ccc1Br)c1csc(I)c1.
What is the InChIKey of [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
The InChIKey is KVWZQWQWLOYULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFIN2S/c13-10-2-1-9(14)3-7(10)4-11(17-16)8-5-12(15)18-6-8/h1-3,5-6,11,17H,4,16H2.
What are the key properties of [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine?
[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine has a molecular weight of 441.11 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105297096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).