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

C21H17FN4O — CID 73052514

IUPAC1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole
SMILESCOCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O/c1-27-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)21-23-24-25-26(21)20-13-7-6-12-19(20)22/h2-13H,14H2,1H3
InChIKeyQNYDWEXOBXXOQT-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.28
Rot. Bonds5

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

1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole (PubChem CID 73052514) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole
PubChem CID73052514
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole
SMILESCOCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F
InChIInChI=1S/C21H17FN4O/c1-27-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)21-23-24-25-26(21)20-13-7-6-12-19(20)22/h2-13H,14H2,1H3
InChIKeyQNYDWEXOBXXOQT-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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-(methoxymethyl)phenyl]phenyl]tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole (CID 73052514) is 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole is COCc1ccccc1-c1ccccc1-c1nnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole?
The InChIKey is QNYDWEXOBXXOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-27-14-15-8-2-3-9-16(15)17-10-4-5-11-18(17)21-23-24-25-26(21)20-13-7-6-12-19(20)22/h2-13H,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole?
1-(2-fluorophenyl)-5-[2-[2-(methoxymethyl)phenyl]phenyl]tetrazole has a molecular weight of 360.39 g/mol, XLogP of 4.28, 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-(methoxymethyl)phenyl]phenyl]tetrazole is sourced from PubChem (CID 73052514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).