5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole

C13H8BrFN4O — CID 24693709

IUPAC5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole
SMILESFc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8BrFN4O/c14-11-8-9(15)6-7-12(11)20-13-16-17-18-19(13)10-4-2-1-3-5-10/h1-8H
InChIKeyKJPFDVIDHYLIIH-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.36
Rot. Bonds3

About 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole

5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole (PubChem CID 24693709) has the molecular formula C13H8BrFN4O and a molecular weight of 335.14 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole
PubChem CID24693709
Molecular FormulaC13H8BrFN4O
Molecular Weight335.14 g/mol
Exact Mass333.99
IUPAC Name5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole
SMILESFc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C13H8BrFN4O/c14-11-8-9(15)6-7-12(11)20-13-16-17-18-19(13)10-4-2-1-3-5-10/h1-8H
InChIKeyKJPFDVIDHYLIIH-UHFFFAOYSA-N
XLogP3.36
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole (CID 24693709) is 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole is Fc1ccc(Oc2nnnn2-c2ccccc2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole?
The InChIKey is KJPFDVIDHYLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4O/c14-11-8-9(15)6-7-12(11)20-13-16-17-18-19(13)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole?
5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole has a molecular weight of 335.14 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenoxy)-1-phenyltetrazole is sourced from PubChem (CID 24693709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).