2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C15H11F3O2 — CID 64560034

IUPAC2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H11F3O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8H,7H2,1H3
InChIKeyMDJJALLSIDHXSA-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 64560034) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID64560034
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H11F3O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8H,7H2,1H3
InChIKeyMDJJALLSIDHXSA-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 115736498
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 53417201
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
CID 118644019
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62551978
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
2-(2,4-difluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanone
CID 114053696
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115789396

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 64560034) is 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(F)cc2F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is MDJJALLSIDHXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-15-5-3-10(6-13(15)18)14(19)7-9-2-4-11(16)8-12(9)17/h2-6,8H,7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 280.25 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 64560034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).