1-(2-chloro-6-fluoro-3-methylphenyl)ethanone

C9H8ClFO — CID 2773655

IUPAC1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
SMILESCC(=O)c1c(F)ccc(C)c1Cl
InChIInChI=1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3
InChIKeyDNESTVGNBQZBHP-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.99
Rot. Bonds1

About 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone

1-(2-chloro-6-fluoro-3-methylphenyl)ethanone (PubChem CID 2773655) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
PubChem CID2773655
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
SMILESCC(=O)c1c(F)ccc(C)c1Cl
InChIInChI=1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3
InChIKeyDNESTVGNBQZBHP-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
1-(6-bromo-2-chloro-3-methylphenyl)ethanone
CID 131313188
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
CID 125438904
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone;1,4-dimethylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142229407
2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 91837557
2-chloro-1-(2-chloro-3,6-dimethylphenyl)ethanone
CID 171008689
3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
CID 54678218

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone (CID 2773655) is 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone is CC(=O)c1c(F)ccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone?
The InChIKey is DNESTVGNBQZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3.
What are the key properties of 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone?
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone has a molecular weight of 186.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 2773655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).