2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone

C11H10FN3O2 — CID 104793521

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cn[nH]n2)c1F
InChIInChI=1S/C11H10FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyMLKHBXXKNYVXFF-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone

2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone (PubChem CID 104793521) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
PubChem CID104793521
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
SMILESCOc1cccc(CC(=O)c2cn[nH]n2)c1F
InChIInChI=1S/C11H10FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyMLKHBXXKNYVXFF-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanol
CID 104793687
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157071276
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(2-fluoro-3-methoxyphenyl)-3-hydroxyhexan-2-one
CID 103453798

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone (CID 104793521) is 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone is COc1cccc(CC(=O)c2cn[nH]n2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone?
The InChIKey is MLKHBXXKNYVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-10-4-2-3-7(11(10)12)5-9(16)8-6-13-15-14-8/h2-4,6H,5H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone?
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone has a molecular weight of 235.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone is sourced from PubChem (CID 104793521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).