1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole

C14H10BrFN4O — CID 52618321

IUPAC1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H10BrFN4O/c15-11-1-6-14(16)10(7-11)8-21-13-4-2-12(3-5-13)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyKULRHPIOPFQYAY-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole

1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole (PubChem CID 52618321) has the molecular formula C14H10BrFN4O and a molecular weight of 349.16 g/mol. Its IUPAC name is 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole
PubChem CID52618321
Molecular FormulaC14H10BrFN4O
Molecular Weight349.16 g/mol
Exact Mass348.00
IUPAC Name1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole
SMILESFc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H10BrFN4O/c15-11-1-6-14(16)10(7-11)8-21-13-4-2-12(3-5-13)20-9-17-18-19-20/h1-7,9H,8H2
InChIKeyKULRHPIOPFQYAY-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-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole?
The IUPAC name of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole (CID 52618321) is 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole.
What is the SMILES notation for 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole?
The canonical SMILES for 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole is Fc1ccc(Br)cc1COc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole?
The InChIKey is KULRHPIOPFQYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O/c15-11-1-6-14(16)10(7-11)8-21-13-4-2-12(3-5-13)20-9-17-18-19-20/h1-7,9H,8H2.
What are the key properties of 1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole?
1-[4-[(5-bromo-2-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-[(5-bromo-2-fluorophenyl)methoxy]phenyl]tetrazole is sourced from PubChem (CID 52618321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).