1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone

C11H13FO2 — CID 106880740

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H13FO2/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5H,6H2,1-3H3
InChIKeyUEXMPFFZKNPNPA-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.27
Rot. Bonds3

About 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone (PubChem CID 106880740) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
PubChem CID106880740
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
SMILESCOCC(=O)c1c(C)cc(C)cc1F
InChIInChI=1S/C11H13FO2/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5H,6H2,1-3H3
InChIKeyUEXMPFFZKNPNPA-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(2-fluoro-4,6-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 106883351
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyethylamino)ethanone
CID 106883090
3-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880998
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
1-(2-fluoro-4,6-dimethylphenyl)-3-(3-methylphenoxy)propan-1-one
CID 106883224
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106883115
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
1-(2,6-difluorophenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 61218583
1-(2-fluoro-4,6-dimethylphenyl)-2,2-dimethylbutan-1-one
CID 106883231

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone (CID 106880740) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone is COCC(=O)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone?
The InChIKey is UEXMPFFZKNPNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-7-4-8(2)11(9(12)5-7)10(13)6-14-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone?
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone has a molecular weight of 196.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone is sourced from PubChem (CID 106880740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).