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

C20H13F3N4O — CID 73053144

IUPAC5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F
InChIInChI=1S/C20H13F3N4O/c21-16-10-4-5-11-17(16)27-19(24-25-26-27)15-9-2-1-7-13(15)14-8-3-6-12-18(14)28-20(22)23/h1-12,20H
InChIKeyORXYFXJZEDJYDE-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.74
Rot. Bonds5

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

5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73053144) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73053144
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F
InChIInChI=1S/C20H13F3N4O/c21-16-10-4-5-11-17(16)27-19(24-25-26-27)15-9-2-1-7-13(15)14-8-3-6-12-18(14)28-20(22)23/h1-12,20H
InChIKeyORXYFXJZEDJYDE-UHFFFAOYSA-N
XLogP4.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole (CID 73053144) is 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1-c1ccccc1-c1ccccc1OC(F)F.
What is the InChIKey of 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is ORXYFXJZEDJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-16-10-4-5-11-17(16)27-19(24-25-26-27)15-9-2-1-7-13(15)14-8-3-6-12-18(14)28-20(22)23/h1-12,20H.
What are the key properties of 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 382.35 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(difluoromethoxy)phenyl]phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73053144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).