4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole

C8H4Br2FN3 — CID 141453858

IUPAC4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2Br)c(Br)c1
InChIInChI=1S/C8H4Br2FN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14)
InChIKeyWEFPENRSLKFGPE-UHFFFAOYSA-N
MW320.95 g/mol
LogP3.14
Rot. Bonds1

About 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole

4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole (PubChem CID 141453858) has the molecular formula C8H4Br2FN3 and a molecular weight of 320.95 g/mol. Its IUPAC name is 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole.

Molecular Properties

Compound Name4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole
PubChem CID141453858
Molecular FormulaC8H4Br2FN3
Molecular Weight320.95 g/mol
Exact Mass318.88
IUPAC Name4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole
SMILESFc1ccc(-c2n[nH]nc2Br)c(Br)c1
InChIInChI=1S/C8H4Br2FN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14)
InChIKeyWEFPENRSLKFGPE-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.95
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole?
The IUPAC name of 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole (CID 141453858) is 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole.
What is the SMILES notation for 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole?
The canonical SMILES for 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole is Fc1ccc(-c2n[nH]nc2Br)c(Br)c1.
What is the InChIKey of 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole?
The InChIKey is WEFPENRSLKFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2FN3/c9-6-3-4(11)1-2-5(6)7-8(10)13-14-12-7/h1-3H,(H,12,13,14).
What are the key properties of 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole?
4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole has a molecular weight of 320.95 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-bromo-4-fluorophenyl)-2H-triazole is sourced from PubChem (CID 141453858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).