1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole

C14H10F2N4O — CID 1488269

IUPAC1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H10F2N4O/c1-21-11-5-2-9(3-6-11)14-17-18-19-20(14)13-7-4-10(15)8-12(13)16/h2-8H,1H3
InChIKeyULWJTISXBVZIHX-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.62
Rot. Bonds3

About 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole

1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole (PubChem CID 1488269) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole
PubChem CID1488269
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCOc1ccc(-c2nnnn2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H10F2N4O/c1-21-11-5-2-9(3-6-11)14-17-18-19-20(14)13-7-4-10(15)8-12(13)16/h2-8H,1H3
InChIKeyULWJTISXBVZIHX-UHFFFAOYSA-N
XLogP2.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole?
The IUPAC name of 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole (CID 1488269) is 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole is COc1ccc(-c2nnnn2-c2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole?
The InChIKey is ULWJTISXBVZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c1-21-11-5-2-9(3-6-11)14-17-18-19-20(14)13-7-4-10(15)8-12(13)16/h2-8H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole?
1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole has a molecular weight of 288.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 1488269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).