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

C21H17FN4O — CID 73053143

IUPAC5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESCCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O/c1-2-27-20-14-8-5-10-16(20)15-9-3-4-11-17(15)21-23-24-25-26(21)19-13-7-6-12-18(19)22/h3-14H,2H2,1H3
InChIKeyDJWCTMHOFYJGFP-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.53
Rot. Bonds5

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

5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole (PubChem CID 73053143) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
PubChem CID73053143
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole
SMILESCCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O/c1-2-27-20-14-8-5-10-16(20)15-9-3-4-11-17(15)21-23-24-25-26(21)19-13-7-6-12-18(19)22/h3-14H,2H2,1H3
InChIKeyDJWCTMHOFYJGFP-UHFFFAOYSA-N
XLogP4.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole (CID 73053143) is 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole is CCOc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
The InChIKey is DJWCTMHOFYJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-2-27-20-14-8-5-10-16(20)15-9-3-4-11-17(15)21-23-24-25-26(21)19-13-7-6-12-18(19)22/h3-14H,2H2,1H3.
What are the key properties of 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole?
5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole has a molecular weight of 360.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethoxyphenyl)phenyl]-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 73053143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).