1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole

C20H15FN4O — CID 73052680

IUPAC1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
SMILESCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c1-26-19-13-7-4-9-15(19)14-8-2-3-10-16(14)20-22-23-24-25(20)18-12-6-5-11-17(18)21/h2-13H,1H3
InChIKeyRJFRTNXMSYVLDQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole

1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole (PubChem CID 73052680) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
PubChem CID73052680
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
SMILESCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H15FN4O/c1-26-19-13-7-4-9-15(19)14-8-2-3-10-16(14)20-22-23-24-25(20)18-12-6-5-11-17(18)21/h2-13H,1H3
InChIKeyRJFRTNXMSYVLDQ-UHFFFAOYSA-N
XLogP4.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole (CID 73052680) is 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole is COc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The InChIKey is RJFRTNXMSYVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-26-19-13-7-4-9-15(19)14-8-2-3-10-16(14)20-22-23-24-25(20)18-12-6-5-11-17(18)21/h2-13H,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole has a molecular weight of 346.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole is sourced from PubChem (CID 73052680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).