1-(2,5-difluoro-3-methoxyphenyl)ethanone

C9H8F2O2 — CID 84660399

IUPAC1-(2,5-difluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(C)=O)c1F
InChIInChI=1S/C9H8F2O2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3
InChIKeyHEDMRWFVCUCJKW-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.18
Rot. Bonds2

About 1-(2,5-difluoro-3-methoxyphenyl)ethanone

1-(2,5-difluoro-3-methoxyphenyl)ethanone (PubChem CID 84660399) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-3-methoxyphenyl)ethanone
PubChem CID84660399
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1-(2,5-difluoro-3-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(C)=O)c1F
InChIInChI=1S/C9H8F2O2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3
InChIKeyHEDMRWFVCUCJKW-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480
1-(5-chloro-2-fluoro-3-methoxyphenyl)ethanone
CID 84671092
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701
1-(2,5-difluoro-3-hydroxyphenyl)ethanone
CID 118998346
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
1-[2-(difluoromethyl)-4-fluoro-6-methoxyphenyl]ethanone
CID 131332595
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
1-[3-(difluoromethoxy)-2-(difluoromethyl)-5-fluorophenyl]ethanone
CID 171031562

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-difluoro-3-methoxyphenyl)ethanone (CID 84660399) is 1-(2,5-difluoro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-3-methoxyphenyl)ethanone is COc1cc(F)cc(C(C)=O)c1F.
What is the InChIKey of 1-(2,5-difluoro-3-methoxyphenyl)ethanone?
The InChIKey is HEDMRWFVCUCJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(12)7-3-6(10)4-8(13-2)9(7)11/h3-4H,1-2H3.
What are the key properties of 1-(2,5-difluoro-3-methoxyphenyl)ethanone?
1-(2,5-difluoro-3-methoxyphenyl)ethanone has a molecular weight of 186.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 84660399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).