5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole

C13H8ClFN4 — CID 855957

IUPAC5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClFN4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H
InChIKeyDJDCJQRWNCMVAO-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.12
Rot. Bonds2

About 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole

5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole (PubChem CID 855957) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole
PubChem CID855957
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClFN4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H
InChIKeyDJDCJQRWNCMVAO-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole (CID 855957) is 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole is Fc1ccc(-n2nnnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole?
The InChIKey is DJDCJQRWNCMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H.
What are the key properties of 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole?
5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole has a molecular weight of 274.69 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 855957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).