[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate

C15H14F2N6O2 — CID 11393903

IUPAC[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N6O2/c1-11(24)25-15(5-22-9-18-7-20-22,6-23-10-19-8-21-23)13-3-2-12(16)4-14(13)17/h2-4,7-10H,5-6H2,1H3
InChIKeyUTVWWEMLIDTNMF-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.31
Rot. Bonds6

About [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate

[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate (PubChem CID 11393903) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate
PubChem CID11393903
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate
SMILESCC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N6O2/c1-11(24)25-15(5-22-9-18-7-20-22,6-23-10-19-8-21-23)13-3-2-12(16)4-14(13)17/h2-4,7-10H,5-6H2,1H3
InChIKeyUTVWWEMLIDTNMF-UHFFFAOYSA-N
XLogP1.31
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate?
The IUPAC name of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate (CID 11393903) is [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate?
The canonical SMILES for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate is CC(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate?
The InChIKey is UTVWWEMLIDTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-11(24)25-15(5-22-9-18-7-20-22,6-23-10-19-8-21-23)13-3-2-12(16)4-14(13)17/h2-4,7-10H,5-6H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate?
[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate has a molecular weight of 348.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] acetate is sourced from PubChem (CID 11393903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).