5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole

C14H10ClFN4O — CID 155154041

IUPAC5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole
SMILESFc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-12-7-11(16)4-5-13(12)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyJAKMNMUAZUSPAB-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.24
Rot. Bonds4

About 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole

5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole (PubChem CID 155154041) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole
PubChem CID155154041
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole
SMILESFc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1
InChIInChI=1S/C14H10ClFN4O/c15-12-7-11(16)4-5-13(12)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20)
InChIKeyJAKMNMUAZUSPAB-UHFFFAOYSA-N
XLogP3.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-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-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole (CID 155154041) is 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole is Fc1ccc(OCc2cccc(-c3nn[nH]n3)c2)c(Cl)c1.
What is the InChIKey of 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole?
The InChIKey is JAKMNMUAZUSPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-12-7-11(16)4-5-13(12)21-8-9-2-1-3-10(6-9)14-17-19-20-18-14/h1-7H,8H2,(H,17,18,19,20).
What are the key properties of 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole?
5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole has a molecular weight of 304.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-chloro-4-fluorophenoxy)methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 155154041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).