1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole

C10H8Cl2FN3O — CID 57181700

IUPAC1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole
SMILESCCOc1nc(F)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2FN3O/c1-2-17-10-14-9(13)15-16(10)8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3
InChIKeyONRAIGUACAEANZ-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole

1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole (PubChem CID 57181700) has the molecular formula C10H8Cl2FN3O and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole
PubChem CID57181700
Molecular FormulaC10H8Cl2FN3O
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole
SMILESCCOc1nc(F)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C10H8Cl2FN3O/c1-2-17-10-14-9(13)15-16(10)8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3
InChIKeyONRAIGUACAEANZ-UHFFFAOYSA-N
XLogP3.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole (CID 57181700) is 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole is CCOc1nc(F)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole?
The InChIKey is ONRAIGUACAEANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3O/c1-2-17-10-14-9(13)15-16(10)8-6(11)4-3-5-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole?
1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole has a molecular weight of 276.10 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-5-ethoxy-3-fluoro-1,2,4-triazole is sourced from PubChem (CID 57181700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).