2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one

C11H8Cl2FN3O2 — CID 139690404

IUPAC2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one
SMILESO=c1nc(OCCF)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2FN3O2/c12-7-3-8(13)5-9(4-7)17-11(18)16-10(6-15-17)19-2-1-14/h3-6H,1-2H2
InChIKeyYEAOHUOTCJSVIW-UHFFFAOYSA-N
MW304.11 g/mol
LogP2.28
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one

2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one (PubChem CID 139690404) has the molecular formula C11H8Cl2FN3O2 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one
PubChem CID139690404
Molecular FormulaC11H8Cl2FN3O2
Molecular Weight304.11 g/mol
Exact Mass303.00
IUPAC Name2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one
SMILESO=c1nc(OCCF)cnn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl2FN3O2/c12-7-3-8(13)5-9(4-7)17-11(18)16-10(6-15-17)19-2-1-14/h3-6H,1-2H2
InChIKeyYEAOHUOTCJSVIW-UHFFFAOYSA-N
XLogP2.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one (CID 139690404) is 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one is O=c1nc(OCCF)cnn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one?
The InChIKey is YEAOHUOTCJSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2/c12-7-3-8(13)5-9(4-7)17-11(18)16-10(6-15-17)19-2-1-14/h3-6H,1-2H2.
What are the key properties of 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one?
2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one has a molecular weight of 304.11 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-(2-fluoroethoxy)-1,2,4-triazin-3-one is sourced from PubChem (CID 139690404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).