5-(4-fluorophenyl)-2H-tetrazole

C7H5FN4 — CID 766140

IUPAC5-(4-fluorophenyl)-2H-tetrazole
SMILESFc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H5FN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyDTAOERLWDORJFR-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.01
Rot. Bonds1

About 5-(4-fluorophenyl)-2H-tetrazole

5-(4-fluorophenyl)-2H-tetrazole (PubChem CID 766140) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2H-tetrazole
PubChem CID766140
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name5-(4-fluorophenyl)-2H-tetrazole
SMILESFc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H5FN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyDTAOERLWDORJFR-UHFFFAOYSA-N
XLogP1.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2H-tetrazole?
The IUPAC name of 5-(4-fluorophenyl)-2H-tetrazole (CID 766140) is 5-(4-fluorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2H-tetrazole is Fc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2H-tetrazole?
The InChIKey is DTAOERLWDORJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).
What are the key properties of 5-(4-fluorophenyl)-2H-tetrazole?
5-(4-fluorophenyl)-2H-tetrazole has a molecular weight of 164.14 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2H-tetrazole is sourced from PubChem (CID 766140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).