1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole

C14H8Cl2F2N4O — CID 1479516

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2c(F)cccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F2N4O/c1-23-12-6-11(7(15)5-8(12)16)22-14(19-20-21-22)13-9(17)3-2-4-10(13)18/h2-6H,1H3
InChIKeyXNSOWXFDLBNDLE-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.92
Rot. Bonds3

About 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole

1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole (PubChem CID 1479516) has the molecular formula C14H8Cl2F2N4O and a molecular weight of 357.15 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
PubChem CID1479516
Molecular FormulaC14H8Cl2F2N4O
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
SMILESCOc1cc(-n2nnnc2-c2c(F)cccc2F)c(Cl)cc1Cl
InChIInChI=1S/C14H8Cl2F2N4O/c1-23-12-6-11(7(15)5-8(12)16)22-14(19-20-21-22)13-9(17)3-2-4-10(13)18/h2-6H,1H3
InChIKeyXNSOWXFDLBNDLE-UHFFFAOYSA-N
XLogP3.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole (CID 1479516) is 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole is COc1cc(-n2nnnc2-c2c(F)cccc2F)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The InChIKey is XNSOWXFDLBNDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N4O/c1-23-12-6-11(7(15)5-8(12)16)22-14(19-20-21-22)13-9(17)3-2-4-10(13)18/h2-6H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole has a molecular weight of 357.15 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-5-(2,6-difluorophenyl)tetrazole is sourced from PubChem (CID 1479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).