1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

C15H11F3O2 — CID 104793432

IUPAC1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H11F3O2/c1-20-14-4-2-3-9(15(14)18)7-13(19)11-8-10(16)5-6-12(11)17/h2-6,8H,7H2,1H3
InChIKeyXCYFMHOOIPUREA-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone

1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (PubChem CID 104793432) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
PubChem CID104793432
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H11F3O2/c1-20-14-4-2-3-9(15(14)18)7-13(19)11-8-10(16)5-6-12(11)17/h2-6,8H,7H2,1H3
InChIKeyXCYFMHOOIPUREA-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-(2-bromo-5-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800218
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
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-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800291
1-(5-bromo-2-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800078
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone (CID 104793432) is 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2cc(F)ccc2F)c1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
The InChIKey is XCYFMHOOIPUREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-14-4-2-3-9(15(14)18)7-13(19)11-8-10(16)5-6-12(11)17/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone?
1-(2,5-difluorophenyl)-2-(2-fluoro-3-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 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 104793432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).