1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole

C22H19FN4O — CID 73052999

IUPAC1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole
SMILESCC(C)Oc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O/c1-15(2)28-21-14-8-5-10-17(21)16-9-3-4-11-18(16)22-24-25-26-27(22)20-13-7-6-12-19(20)23/h3-15H,1-2H3
InChIKeyYOMNOIFKVVEJPK-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.92
Rot. Bonds5

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

1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole (PubChem CID 73052999) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole
PubChem CID73052999
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole
SMILESCC(C)Oc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C22H19FN4O/c1-15(2)28-21-14-8-5-10-17(21)16-9-3-4-11-18(16)22-24-25-26-27(22)20-13-7-6-12-19(20)23/h3-15H,1-2H3
InChIKeyYOMNOIFKVVEJPK-UHFFFAOYSA-N
XLogP4.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole (CID 73052999) is 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole is CC(C)Oc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole?
The InChIKey is YOMNOIFKVVEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-15(2)28-21-14-8-5-10-17(21)16-9-3-4-11-18(16)22-24-25-26-27(22)20-13-7-6-12-19(20)23/h3-15H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole?
1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole has a molecular weight of 374.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-[2-(2-propan-2-yloxyphenyl)phenyl]tetrazole is sourced from PubChem (CID 73052999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).