1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone

C15H11F3O2 — CID 102982740

IUPAC1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
SMILESCc1ccc(F)cc1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7H,8H2,1H3
InChIKeyVXQGEBARCBZTMZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone

1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone (PubChem CID 102982740) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
PubChem CID102982740
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
SMILESCc1ccc(F)cc1OCC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H11F3O2/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7H,8H2,1H3
InChIKeyVXQGEBARCBZTMZ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)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-(5-fluoro-2-methylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102975495
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
4-chloro-2-[2-(2,4-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 114323759
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
CID 118401895
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
2-(3,4-difluorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 43612511
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
N-(2-aminoethyl)-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102980804
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 107659375

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone (CID 102982740) is 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone is Cc1ccc(F)cc1OCC(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone?
The InChIKey is VXQGEBARCBZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7H,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone?
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone has a molecular weight of 280.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone is sourced from PubChem (CID 102982740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).