1-(4-fluoro-2-iodophenyl)tetrazole

C7H4FIN4 — CID 79766325

IUPAC1-(4-fluoro-2-iodophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(I)c1
InChIInChI=1S/C7H4FIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyJWGCQOIWAPKJIJ-UHFFFAOYSA-N
MW290.04 g/mol
LogP1.41
Rot. Bonds1

About 1-(4-fluoro-2-iodophenyl)tetrazole

1-(4-fluoro-2-iodophenyl)tetrazole (PubChem CID 79766325) has the molecular formula C7H4FIN4 and a molecular weight of 290.04 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)tetrazole
PubChem CID79766325
Molecular FormulaC7H4FIN4
Molecular Weight290.04 g/mol
Exact Mass289.95
IUPAC Name1-(4-fluoro-2-iodophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(I)c1
InChIInChI=1S/C7H4FIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyJWGCQOIWAPKJIJ-UHFFFAOYSA-N
XLogP1.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.04
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)tetrazole?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)tetrazole (CID 79766325) is 1-(4-fluoro-2-iodophenyl)tetrazole.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)tetrazole?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)tetrazole is Fc1ccc(-n2cnnn2)c(I)c1.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)tetrazole?
The InChIKey is JWGCQOIWAPKJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIN4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H.
What are the key properties of 1-(4-fluoro-2-iodophenyl)tetrazole?
1-(4-fluoro-2-iodophenyl)tetrazole has a molecular weight of 290.04 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)tetrazole is sourced from PubChem (CID 79766325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).