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

C21H16F2N4O2 — CID 73052360

IUPAC1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole
SMILESCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1OC(F)F
InChIInChI=1S/C21H16F2N4O2/c1-28-18-12-6-4-9-15(18)14-8-2-3-10-16(14)20-24-25-26-27(20)17-11-5-7-13-19(17)29-21(22)23/h2-13,21H,1H3
InChIKeyCOGUXLGJVWPFDO-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.61
Rot. Bonds6

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

1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole (PubChem CID 73052360) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole
PubChem CID73052360
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole
SMILESCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1OC(F)F
InChIInChI=1S/C21H16F2N4O2/c1-28-18-12-6-4-9-15(18)14-8-2-3-10-16(14)20-24-25-26-27(20)17-11-5-7-13-19(17)29-21(22)23/h2-13,21H,1H3
InChIKeyCOGUXLGJVWPFDO-UHFFFAOYSA-N
XLogP4.61
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole (CID 73052360) is 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole is COc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
The InChIKey is COGUXLGJVWPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-28-18-12-6-4-9-15(18)14-8-2-3-10-16(14)20-24-25-26-27(20)17-11-5-7-13-19(17)29-21(22)23/h2-13,21H,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole?
1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole has a molecular weight of 394.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-5-[2-(2-methoxyphenyl)phenyl]tetrazole is sourced from PubChem (CID 73052360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).