4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole

C10H7BrClF2N3 — CID 63385230

IUPAC4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrClF2N3/c1-2-8-15-16-10(12)17(8)9-6(11)3-5(13)4-7(9)14/h3-4H,2H2,1H3
InChIKeyCGWQFHHTWHLFJD-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.52
Rot. Bonds2

About 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole

4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole (PubChem CID 63385230) has the molecular formula C10H7BrClF2N3 and a molecular weight of 322.54 g/mol. Its IUPAC name is 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole
PubChem CID63385230
Molecular FormulaC10H7BrClF2N3
Molecular Weight322.54 g/mol
Exact Mass320.95
IUPAC Name4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole
SMILESCCc1nnc(Cl)n1-c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H7BrClF2N3/c1-2-8-15-16-10(12)17(8)9-6(11)3-5(13)4-7(9)14/h3-4H,2H2,1H3
InChIKeyCGWQFHHTWHLFJD-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The IUPAC name of 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole (CID 63385230) is 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The canonical SMILES for 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole is CCc1nnc(Cl)n1-c1c(F)cc(F)cc1Br.
What is the InChIKey of 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole?
The InChIKey is CGWQFHHTWHLFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF2N3/c1-2-8-15-16-10(12)17(8)9-6(11)3-5(13)4-7(9)14/h3-4H,2H2,1H3.
What are the key properties of 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole?
4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole has a molecular weight of 322.54 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,6-difluorophenyl)-3-chloro-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63385230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).