3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole

C11H11BrFN3 — CID 115399547

IUPAC3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
SMILESCCn1c(CBr)nnc1-c1ccccc1F
InChIInChI=1S/C11H11BrFN3/c1-2-16-10(7-12)14-15-11(16)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKeyAIJLSMOOZWGVCA-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.00
Rot. Bonds3

About 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole

3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole (PubChem CID 115399547) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
PubChem CID115399547
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole
SMILESCCn1c(CBr)nnc1-c1ccccc1F
InChIInChI=1S/C11H11BrFN3/c1-2-16-10(7-12)14-15-11(16)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3
InChIKeyAIJLSMOOZWGVCA-UHFFFAOYSA-N
XLogP3.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-4-ethyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 115399573
3-(bromomethyl)-4-ethyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazole
CID 102885880
3-(bromomethyl)-5-(2-methylphenyl)-4-propyl-1,2,4-triazole
CID 115399766
3-(bromomethyl)-5-(2,4-difluorophenyl)-4-propyl-1,2,4-triazole
CID 113302498
3-(bromomethyl)-4-ethyl-5-(4-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115399500
3-(bromomethyl)-5-(2-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115399740
[5-(2,3-difluorophenyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 112593586
3-(bromomethyl)-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole
CID 115399465
3-(bromomethyl)-5-(2,6-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115399522
3-(chloromethyl)-5-(2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115397456
3-(bromomethyl)-5-(2,5-difluoro-3-nitrophenyl)-4-ethyl-1,2,4-triazole
CID 107123845
3-(bromomethyl)-5-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113302600

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole (CID 115399547) is 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole is CCn1c(CBr)nnc1-c1ccccc1F.
What is the InChIKey of 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole?
The InChIKey is AIJLSMOOZWGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-2-16-10(7-12)14-15-11(16)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3.
What are the key properties of 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole?
3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole has a molecular weight of 284.13 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-ethyl-5-(2-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 115399547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).