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

C20H14F2N4O — CID 73052681

IUPAC5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H14F2N4O/c21-13-27-19-12-6-3-8-15(19)14-7-1-2-9-16(14)20-23-24-25-26(20)18-11-5-4-10-17(18)22/h1-12H,13H2
InChIKeyYMFKKIBHNSRDRT-UHFFFAOYSA-N
MW364.36 g/mol
LogP4.44
Rot. Bonds5

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

5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73052681) has the molecular formula C20H14F2N4O and a molecular weight of 364.36 g/mol. Its IUPAC name is 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73052681
Molecular FormulaC20H14F2N4O
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C20H14F2N4O/c21-13-27-19-12-6-3-8-15(19)14-7-1-2-9-16(14)20-23-24-25-26(20)18-11-5-4-10-17(18)22/h1-12H,13H2
InChIKeyYMFKKIBHNSRDRT-UHFFFAOYSA-N
XLogP4.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (CID 73052681) is 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is FCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is YMFKKIBHNSRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O/c21-13-27-19-12-6-3-8-15(19)14-7-1-2-9-16(14)20-23-24-25-26(20)18-11-5-4-10-17(18)22/h1-12H,13H2.
What are the key properties of 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 364.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(fluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73052681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).