5-fluoro-1-phenyltetrazole

C7H5FN4 — CID 69030868

IUPAC5-fluoro-1-phenyltetrazole
SMILESFc1nnnn1-c1ccccc1
InChIInChI=1S/C7H5FN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBPBHJITWJOIQDJ-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 5-fluoro-1-phenyltetrazole

5-fluoro-1-phenyltetrazole (PubChem CID 69030868) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 5-fluoro-1-phenyltetrazole.

Molecular Properties

Compound Name5-fluoro-1-phenyltetrazole
PubChem CID69030868
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name5-fluoro-1-phenyltetrazole
SMILESFc1nnnn1-c1ccccc1
InChIInChI=1S/C7H5FN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKeyBPBHJITWJOIQDJ-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

Analyze 5-fluoro-1-phenyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-phenyltetrazole?
The IUPAC name of 5-fluoro-1-phenyltetrazole (CID 69030868) is 5-fluoro-1-phenyltetrazole.
What is the SMILES notation for 5-fluoro-1-phenyltetrazole?
The canonical SMILES for 5-fluoro-1-phenyltetrazole is Fc1nnnn1-c1ccccc1.
What is the InChIKey of 5-fluoro-1-phenyltetrazole?
The InChIKey is BPBHJITWJOIQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-fluoro-1-phenyltetrazole?
5-fluoro-1-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-1-phenyltetrazole is sourced from PubChem (CID 69030868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).