1-(2-fluoro-3,6-dimethylphenyl)ethanone

C10H11FO — CID 84765074

IUPAC1-(2-fluoro-3,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)ccc(C)c1F
InChIInChI=1S/C10H11FO/c1-6-4-5-7(2)10(11)9(6)8(3)12/h4-5H,1-3H3
InChIKeyGZXWHCRZKJXRJP-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.65
Rot. Bonds1

About 1-(2-fluoro-3,6-dimethylphenyl)ethanone

1-(2-fluoro-3,6-dimethylphenyl)ethanone (PubChem CID 84765074) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-(2-fluoro-3,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-3,6-dimethylphenyl)ethanone
PubChem CID84765074
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-(2-fluoro-3,6-dimethylphenyl)ethanone
SMILESCC(=O)c1c(C)ccc(C)c1F
InChIInChI=1S/C10H11FO/c1-6-4-5-7(2)10(11)9(6)8(3)12/h4-5H,1-3H3
InChIKeyGZXWHCRZKJXRJP-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-acetyl-2-fluoro-4-methylbenzaldehyde
CID 171010106
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
1-(3-fluoro-2-hydroxy-4-methylphenyl)ethanone
CID 117276578
1-(7-fluoro-2-methylnaphthalen-1-yl)ethanone
CID 142518749
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
CID 18717540
1-(2-fluoro-3-iodo-4-methylphenyl)ethanone
CID 171022516

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-3,6-dimethylphenyl)ethanone (CID 84765074) is 1-(2-fluoro-3,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-3,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-3,6-dimethylphenyl)ethanone is CC(=O)c1c(C)ccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3,6-dimethylphenyl)ethanone?
The InChIKey is GZXWHCRZKJXRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-6-4-5-7(2)10(11)9(6)8(3)12/h4-5H,1-3H3.
What are the key properties of 1-(2-fluoro-3,6-dimethylphenyl)ethanone?
1-(2-fluoro-3,6-dimethylphenyl)ethanone has a molecular weight of 166.19 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,6-dimethylphenyl)ethanone is sourced from PubChem (CID 84765074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).