4-(4-bromo-2-fluorophenyl)-2H-triazole

C8H5BrFN3 — CID 130873636

IUPAC4-(4-bromo-2-fluorophenyl)-2H-triazole
SMILESFc1cc(Br)ccc1-c1cn[nH]n1
InChIInChI=1S/C8H5BrFN3/c9-5-1-2-6(7(10)3-5)8-4-11-13-12-8/h1-4H,(H,11,12,13)
InChIKeyUFHORHINLGKADU-UHFFFAOYSA-N
MW242.05 g/mol
LogP2.37
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)-2H-triazole

4-(4-bromo-2-fluorophenyl)-2H-triazole (PubChem CID 130873636) has the molecular formula C8H5BrFN3 and a molecular weight of 242.05 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-2H-triazole
PubChem CID130873636
Molecular FormulaC8H5BrFN3
Molecular Weight242.05 g/mol
Exact Mass240.97
IUPAC Name4-(4-bromo-2-fluorophenyl)-2H-triazole
SMILESFc1cc(Br)ccc1-c1cn[nH]n1
InChIInChI=1S/C8H5BrFN3/c9-5-1-2-6(7(10)3-5)8-4-11-13-12-8/h1-4H,(H,11,12,13)
InChIKeyUFHORHINLGKADU-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-2-chlorophenyl)-2H-triazole
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4-(4-chloro-3-fluoro-2-methylphenyl)-2H-triazole
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N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 82973618
N-[[5-(4-bromo-2-fluorophenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
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5-(4-bromo-2-fluorophenyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 150640435
6-(4-bromo-2-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
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3-(4-bromo-2-fluorophenyl)-1,4-dihydropyrazol-5-one
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CID 114771183

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-2H-triazole?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-2H-triazole (CID 130873636) is 4-(4-bromo-2-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-2H-triazole is Fc1cc(Br)ccc1-c1cn[nH]n1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-2H-triazole?
The InChIKey is UFHORHINLGKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFN3/c9-5-1-2-6(7(10)3-5)8-4-11-13-12-8/h1-4H,(H,11,12,13).
What are the key properties of 4-(4-bromo-2-fluorophenyl)-2H-triazole?
4-(4-bromo-2-fluorophenyl)-2H-triazole has a molecular weight of 242.05 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-2H-triazole is sourced from PubChem (CID 130873636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).