1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

C14H8ClF3N4 — CID 1474282

IUPAC1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-c2nnnn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H8ClF3N4/c15-11-5-2-6-12(8-11)22-13(19-20-21-22)9-3-1-4-10(7-9)14(16,17)18/h1-8H
InChIKeyHFFFLDPXLBMREY-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.00
Rot. Bonds2

About 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 1474282) has the molecular formula C14H8ClF3N4 and a molecular weight of 324.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID1474282
Molecular FormulaC14H8ClF3N4
Molecular Weight324.69 g/mol
Exact Mass324.04
IUPAC Name1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-c2nnnn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C14H8ClF3N4/c15-11-5-2-6-12(8-11)22-13(19-20-21-22)9-3-1-4-10(7-9)14(16,17)18/h1-8H
InChIKeyHFFFLDPXLBMREY-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

Analyze 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (CID 1474282) is 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-c2nnnn2-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is HFFFLDPXLBMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4/c15-11-5-2-6-12(8-11)22-13(19-20-21-22)9-3-1-4-10(7-9)14(16,17)18/h1-8H.
What are the key properties of 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
1-(3-chlorophenyl)-5-[3-(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 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 1474282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).