5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole

C14H8ClF3N4 — CID 2727082

IUPAC5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccccc1-n1nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N4/c15-10-7-5-9(6-8-10)13-19-20-21-22(13)12-4-2-1-3-11(12)14(16,17)18/h1-8H
InChIKeyAQWKFOQKQDTBHZ-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.00
Rot. Bonds2

About 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole

5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole (PubChem CID 2727082) has the molecular formula C14H8ClF3N4 and a molecular weight of 324.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
PubChem CID2727082
Molecular FormulaC14H8ClF3N4
Molecular Weight324.69 g/mol
Exact Mass324.04
IUPAC Name5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1ccccc1-n1nnnc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N4/c15-10-7-5-9(6-8-10)13-19-20-21-22(13)12-4-2-1-3-11(12)14(16,17)18/h1-8H
InChIKeyAQWKFOQKQDTBHZ-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.00
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-[2-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole (CID 2727082) is 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1ccccc1-n1nnnc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is AQWKFOQKQDTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4/c15-10-7-5-9(6-8-10)13-19-20-21-22(13)12-4-2-1-3-11(12)14(16,17)18/h1-8H.
What are the key properties of 5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole?
5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 324.69 g/mol, XLogP of 4.00, 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-[2-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 2727082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).