2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone

C15H11F3O2 — CID 105405437

IUPAC2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H11F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8H,6H2,1H3
InChIKeyHPRFWWBNYUFGRS-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.54
Rot. Bonds4

About 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone

2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 105405437) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
PubChem CID105405437
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C15H11F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8H,6H2,1H3
InChIKeyHPRFWWBNYUFGRS-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-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone (CID 105405437) is 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is HPRFWWBNYUFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-12-2-3-13(14(18)8-12)15(19)6-9-4-10(16)7-11(17)5-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
2-(3,5-difluorophenyl)-1-(2-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-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 105405437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).