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

C13H8ClFN4 — CID 2991055

IUPAC5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C13H8ClFN4/c14-12-4-2-1-3-11(12)13-16-18-19(17-13)10-7-5-9(15)6-8-10/h1-8H
InChIKeyMOHHZHCTGICHAF-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.12
Rot. Bonds2

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

5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole (PubChem CID 2991055) has the molecular formula C13H8ClFN4 and a molecular weight of 274.69 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole
PubChem CID2991055
Molecular FormulaC13H8ClFN4
Molecular Weight274.69 g/mol
Exact Mass274.04
IUPAC Name5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C13H8ClFN4/c14-12-4-2-1-3-11(12)13-16-18-19(17-13)10-7-5-9(15)6-8-10/h1-8H
InChIKeyMOHHZHCTGICHAF-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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Related Compounds

Triphenyltetrazolium chloride
CID 9283
2,3,5-Triphenyltetrazolium
CID 9284
5-(4-Chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 2730635
2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
2,3-Bis(3-chlorophenyl)-5-phenyltetrazol-2-ium chloride
CID 44456482
2-(2-chloro-4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 588845
2-(2-chlorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685751
2,5-Diphenyl-2H-tetrazole
CID 140328
2-(3-Chlorophenyl)-3,5-diphenyltetrazol-3-ium chloride
CID 13951844
2-(4-Fluorophenyl)-3,5-diphenyltetrazol-2-ium chloride
CID 13951846
5-(3-Chlorophenyl)-2,3-diphenyltetrazol-2-ium chloride
CID 44455905
2-(4-Chlorophenyl)-3,5-diphenyltetrazol-2-ium chloride
CID 44456018

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole (CID 2991055) is 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole is Fc1ccc(-n2nnc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole?
The InChIKey is MOHHZHCTGICHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN4/c14-12-4-2-1-3-11(12)13-16-18-19(17-13)10-7-5-9(15)6-8-10/h1-8H.
What are the key properties of 5-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole?
5-(2-chlorophenyl)-2-(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-(2-chlorophenyl)-2-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 2991055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).