2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone

C21H14F2O3 — CID 2086964

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H14F2O3/c22-16-9-5-14(6-10-16)21(25)15-7-11-17(12-8-15)26-13-20(24)18-3-1-2-4-19(18)23/h1-12H,13H2
InChIKeyFIJGDKSRZCRLNE-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.46
Rot. Bonds6

About 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone

2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone (PubChem CID 2086964) has the molecular formula C21H14F2O3 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
PubChem CID2086964
Molecular FormulaC21H14F2O3
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H14F2O3/c22-16-9-5-14(6-10-16)21(25)15-7-11-17(12-8-15)26-13-20(24)18-3-1-2-4-19(18)23/h1-12H,13H2
InChIKeyFIJGDKSRZCRLNE-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)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-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
1-(2,4-dimethoxyphenyl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 4314291
1-(2-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413948
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 144721168
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
2-fluoro-N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 24634581
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
ethane-1,2-diol;[4-[4-(2-fluorobenzoyl)phenoxy]phenyl]-(2-fluorophenyl)methanone
CID 71774691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone (CID 2086964) is 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone is O=C(c1ccc(F)cc1)c1ccc(OCC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone?
The InChIKey is FIJGDKSRZCRLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2O3/c22-16-9-5-14(6-10-16)21(25)15-7-11-17(12-8-15)26-13-20(24)18-3-1-2-4-19(18)23/h1-12H,13H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone?
2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone has a molecular weight of 352.34 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 2086964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).