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

C13H14FIN4 — CID 79766240

IUPAC5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2C2CCCCC2)c(I)c1
InChIInChI=1S/C13H14FIN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWPGXUFHWFGSRJF-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.45
Rot. Bonds2

About 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole

5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole (PubChem CID 79766240) has the molecular formula C13H14FIN4 and a molecular weight of 372.19 g/mol. Its IUPAC name is 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole.

Molecular Properties

Compound Name5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
PubChem CID79766240
Molecular FormulaC13H14FIN4
Molecular Weight372.19 g/mol
Exact Mass372.02
IUPAC Name5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2C2CCCCC2)c(I)c1
InChIInChI=1S/C13H14FIN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyWPGXUFHWFGSRJF-UHFFFAOYSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 53.45
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 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole?
The IUPAC name of 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole (CID 79766240) is 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole.
What is the SMILES notation for 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole?
The canonical SMILES for 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole is Fc1ccc(-n2nnnc2C2CCCCC2)c(I)c1.
What is the InChIKey of 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole?
The InChIKey is WPGXUFHWFGSRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FIN4/c14-10-6-7-12(11(15)8-10)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole?
5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole has a molecular weight of 372.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole is sourced from PubChem (CID 79766240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).