5-fluoro-2-phenyltetrazole

C7H5FN4 — CID 69032818

IUPAC5-fluoro-2-phenyltetrazole
SMILESFc1nnn(-c2ccccc2)n1
InChIInChI=1S/C7H5FN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H
InChIKeyFQQBILNQGAQBBP-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 5-fluoro-2-phenyltetrazole

5-fluoro-2-phenyltetrazole (PubChem CID 69032818) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 5-fluoro-2-phenyltetrazole.

Molecular Properties

Compound Name5-fluoro-2-phenyltetrazole
PubChem CID69032818
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name5-fluoro-2-phenyltetrazole
SMILESFc1nnn(-c2ccccc2)n1
InChIInChI=1S/C7H5FN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H
InChIKeyFQQBILNQGAQBBP-UHFFFAOYSA-N
XLogP0.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyltetrazole?
The IUPAC name of 5-fluoro-2-phenyltetrazole (CID 69032818) is 5-fluoro-2-phenyltetrazole.
What is the SMILES notation for 5-fluoro-2-phenyltetrazole?
The canonical SMILES for 5-fluoro-2-phenyltetrazole is Fc1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-fluoro-2-phenyltetrazole?
The InChIKey is FQQBILNQGAQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-fluoro-2-phenyltetrazole?
5-fluoro-2-phenyltetrazole has a molecular weight of 164.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyltetrazole is sourced from PubChem (CID 69032818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).