[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine

C12H12ClIN2O — CID 106694448

IUPAC[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H12ClIN2O/c13-12-6-5-11(17-12)10(16-15)7-8-1-3-9(14)4-2-8/h1-6,10,16H,7,15H2
InChIKeySQNAGNZTYQGVTC-UHFFFAOYSA-N
MW362.60 g/mol
LogP3.28
Rot. Bonds4

About [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine

[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine (PubChem CID 106694448) has the molecular formula C12H12ClIN2O and a molecular weight of 362.60 g/mol. Its IUPAC name is [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
PubChem CID106694448
Molecular FormulaC12H12ClIN2O
Molecular Weight362.60 g/mol
Exact Mass361.97
IUPAC Name[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H12ClIN2O/c13-12-6-5-11(17-12)10(16-15)7-8-1-3-9(14)4-2-8/h1-6,10,16H,7,15H2
InChIKeySQNAGNZTYQGVTC-UHFFFAOYSA-N
XLogP3.28
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine (CID 106694448) is [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)c1ccc(Cl)o1.
What is the InChIKey of [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is SQNAGNZTYQGVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O/c13-12-6-5-11(17-12)10(16-15)7-8-1-3-9(14)4-2-8/h1-6,10,16H,7,15H2.
What are the key properties of [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine?
[1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 362.60 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorofuran-2-yl)-2-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 106694448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).