1-(3,5-difluoro-4-methoxyphenyl)ethanone

C9H8F2O2 — CID 2736983

IUPAC1-(3,5-difluoro-4-methoxyphenyl)ethanone
SMILESCOc1c(F)cc(C(C)=O)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,1-2H3
InChIKeyOUJZNFJFMAKGMS-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.18
Rot. Bonds2

About 1-(3,5-difluoro-4-methoxyphenyl)ethanone

1-(3,5-difluoro-4-methoxyphenyl)ethanone (PubChem CID 2736983) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)ethanone
PubChem CID2736983
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)ethanone
SMILESCOc1c(F)cc(C(C)=O)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,1-2H3
InChIKeyOUJZNFJFMAKGMS-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

1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
1-(3,5-difluoro-4-pentoxyphenyl)ethanone
CID 91657642
1-(8-fluoro-4-methoxy-2-methylquinolin-6-yl)ethanone
CID 82576288
4-acetyl-2-fluoro-6-methoxybenzonitrile
CID 131590815
1-[3-chloro-5-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 171005890
3-acetyloxy-5-fluoro-4-methoxybenzoic acid
CID 67076728
2-(3-fluoro-5-hydroxy-4-methoxyphenyl)-2-oxoacetic acid
CID 117304900
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
1-[4-(dimethylamino)-3,5-difluorophenyl]ethanone
CID 83383426
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
methyl 4-(3,5-difluoro-4-methoxyphenyl)-3-methyl-4-oxobutanoate
CID 137378003
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)ethanone (CID 2736983) is 1-(3,5-difluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)ethanone is COc1c(F)cc(C(C)=O)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)ethanone?
The InChIKey is OUJZNFJFMAKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(12)6-3-7(10)9(13-2)8(11)4-6/h3-4H,1-2H3.
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)ethanone?
1-(3,5-difluoro-4-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-(3,5-difluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 2736983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).