5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole

C14H10ClFN4 — CID 2173648

IUPAC5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H10ClFN4/c15-12-7-3-2-6-11(12)14-17-19-20(18-14)9-10-5-1-4-8-13(10)16/h1-8H,9H2
InChIKeyMRCJBVBMCLIUJR-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.18
Rot. Bonds3

About 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole

5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole (PubChem CID 2173648) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole
PubChem CID2173648
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole
SMILESFc1ccccc1Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C14H10ClFN4/c15-12-7-3-2-6-11(12)14-17-19-20(18-14)9-10-5-1-4-8-13(10)16/h1-8H,9H2
InChIKeyMRCJBVBMCLIUJR-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]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 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole (CID 2173648) is 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole is Fc1ccccc1Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole?
The InChIKey is MRCJBVBMCLIUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-12-7-3-2-6-11(12)14-17-19-20(18-14)9-10-5-1-4-8-13(10)16/h1-8H,9H2.
What are the key properties of 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole?
5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole has a molecular weight of 288.71 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(2-fluorophenyl)methyl]tetrazole is sourced from PubChem (CID 2173648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).