2-(3-fluorophenyl)tetrazole

C7H5FN4 — CID 174705948

IUPAC2-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2ncnn2)c1
InChIInChI=1S/C7H5FN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H
InChIKeyHZNZLPWLIRAECF-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 2-(3-fluorophenyl)tetrazole

2-(3-fluorophenyl)tetrazole (PubChem CID 174705948) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-(3-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)tetrazole
PubChem CID174705948
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name2-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2ncnn2)c1
InChIInChI=1S/C7H5FN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H
InChIKeyHZNZLPWLIRAECF-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 2-(3-fluorophenyl)tetrazole?
The IUPAC name of 2-(3-fluorophenyl)tetrazole (CID 174705948) is 2-(3-fluorophenyl)tetrazole.
What is the SMILES notation for 2-(3-fluorophenyl)tetrazole?
The canonical SMILES for 2-(3-fluorophenyl)tetrazole is Fc1cccc(-n2ncnn2)c1.
What is the InChIKey of 2-(3-fluorophenyl)tetrazole?
The InChIKey is HZNZLPWLIRAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-6-2-1-3-7(4-6)12-10-5-9-11-12/h1-5H.
What are the key properties of 2-(3-fluorophenyl)tetrazole?
2-(3-fluorophenyl)tetrazole 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 2-(3-fluorophenyl)tetrazole is sourced from PubChem (CID 174705948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).