5-(4-chloro-2-fluorophenyl)-2-methyltetrazole

C8H6ClFN4 — CID 141338223

IUPAC5-(4-chloro-2-fluorophenyl)-2-methyltetrazole
SMILESCn1nnc(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKeyLOFMAYHTAKIIRJ-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.67
Rot. Bonds1

About 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole

5-(4-chloro-2-fluorophenyl)-2-methyltetrazole (PubChem CID 141338223) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-methyltetrazole
PubChem CID141338223
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-methyltetrazole
SMILESCn1nnc(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKeyLOFMAYHTAKIIRJ-UHFFFAOYSA-N
XLogP1.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 560735
5-(4-Chlorophenyl)-2-[(4-fluorophenyl)methyl]tetrazole
CID 2730635
5-(4-Chlorophenyl)-1H-tetrazole
CID 257758
5-(3-chlorophenyl)-2H-1,2,3,4-tetrazole
CID 592520
2-(2-chloro-4-fluorobenzyl)-5-(2-methylphenyl)-2H-tetrazole
CID 723279
2-(2-chloro-4-fluorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 588845
2-(2-chlorobenzyl)-5-(4-fluorophenyl)-2H-tetrazole
CID 685751
s-Tetrazine, 3-(p-chlorophenyl)-6-dimethylamino-
CID 99388
2-(4-Chloro-benzyl)-5-phenyl-2H-tetrazole
CID 763900
5-(4-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497155
5-(3-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497161
5-(2-Chlorophenyl)-2-(3-iodoprop-2-ynyl)tetrazole
CID 497162

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole (CID 141338223) is 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole is Cn1nnc(-c2ccc(Cl)cc2F)n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole?
The InChIKey is LOFMAYHTAKIIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c1-14-12-8(11-13-14)6-3-2-5(9)4-7(6)10/h2-4H,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole?
5-(4-chloro-2-fluorophenyl)-2-methyltetrazole has a molecular weight of 212.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-methyltetrazole is sourced from PubChem (CID 141338223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).