1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole

C15H11F2IN4O2 — CID 55988919

IUPAC1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
SMILESFC(F)Oc1ccc(-n2nnnc2COc2cccc(I)c2)cc1
InChIInChI=1S/C15H11F2IN4O2/c16-15(17)24-12-6-4-11(5-7-12)22-14(19-20-21-22)9-23-13-3-1-2-10(18)8-13/h1-8,15H,9H2
InChIKeyUACIVZBMPCYKDI-UHFFFAOYSA-N
MW444.18 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole

1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole (PubChem CID 55988919) has the molecular formula C15H11F2IN4O2 and a molecular weight of 444.18 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
PubChem CID55988919
Molecular FormulaC15H11F2IN4O2
Molecular Weight444.18 g/mol
Exact Mass443.99
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
SMILESFC(F)Oc1ccc(-n2nnnc2COc2cccc(I)c2)cc1
InChIInChI=1S/C15H11F2IN4O2/c16-15(17)24-12-6-4-11(5-7-12)22-14(19-20-21-22)9-23-13-3-1-2-10(18)8-13/h1-8,15H,9H2
InChIKeyUACIVZBMPCYKDI-UHFFFAOYSA-N
XLogP3.45
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.18
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole (CID 55988919) is 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole is FC(F)Oc1ccc(-n2nnnc2COc2cccc(I)c2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole?
The InChIKey is UACIVZBMPCYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2IN4O2/c16-15(17)24-12-6-4-11(5-7-12)22-14(19-20-21-22)9-23-13-3-1-2-10(18)8-13/h1-8,15H,9H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole?
1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole has a molecular weight of 444.18 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole is sourced from PubChem (CID 55988919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).