1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole

C15H12ClFN4 — CID 5299086

IUPAC1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole
SMILESCc1ccc(-n2nnnc2Cc2ccccc2F)cc1Cl
InChIInChI=1S/C15H12ClFN4/c1-10-6-7-12(9-13(10)16)21-15(18-19-20-21)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3
InChIKeyOEJLIZHPIQJUMA-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole

1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole (PubChem CID 5299086) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole
PubChem CID5299086
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole
SMILESCc1ccc(-n2nnnc2Cc2ccccc2F)cc1Cl
InChIInChI=1S/C15H12ClFN4/c1-10-6-7-12(9-13(10)16)21-15(18-19-20-21)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3
InChIKeyOEJLIZHPIQJUMA-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole (CID 5299086) is 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole is Cc1ccc(-n2nnnc2Cc2ccccc2F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole?
The InChIKey is OEJLIZHPIQJUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c1-10-6-7-12(9-13(10)16)21-15(18-19-20-21)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole?
1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole has a molecular weight of 302.74 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-[(2-fluorophenyl)methyl]tetrazole is sourced from PubChem (CID 5299086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).