1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole

C14H10BrFN4O — CID 52618322

IUPAC1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2ccc(-n3cnnn3)cc2)cc1Br
InChIInChI=1S/C14H10BrFN4O/c15-13-7-10(1-6-14(13)16)8-21-12-4-2-11(3-5-12)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyWRFFRLSVIZQOMU-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole

1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole (PubChem CID 52618322) has the molecular formula C14H10BrFN4O and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole
PubChem CID52618322
Molecular FormulaC14H10BrFN4O
Molecular Weight349.16 g/mol
Exact Mass348.00
IUPAC Name1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(COc2ccc(-n3cnnn3)cc2)cc1Br
InChIInChI=1S/C14H10BrFN4O/c15-13-7-10(1-6-14(13)16)8-21-12-4-2-11(3-5-12)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyWRFFRLSVIZQOMU-UHFFFAOYSA-N
XLogP3.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole (CID 52618322) is 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole is Fc1ccc(COc2ccc(-n3cnnn3)cc2)cc1Br.
What is the InChIKey of 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole?
The InChIKey is WRFFRLSVIZQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O/c15-13-7-10(1-6-14(13)16)8-21-12-4-2-11(3-5-12)20-9-17-18-19-20/h1-7,9H,8H2.
What are the key properties of 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole?
1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole has a molecular weight of 349.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 52618322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).