2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone

C16H14ClFO — CID 43337883

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C16H14ClFO/c1-10-6-7-12(11(2)8-10)16(19)9-13-14(17)4-3-5-15(13)18/h3-8H,9H2,1-2H3
InChIKeyPHGIIQUKFQJSAK-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.52
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 43337883) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
PubChem CID43337883
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C16H14ClFO/c1-10-6-7-12(11(2)8-10)16(19)9-13-14(17)4-3-5-15(13)18/h3-8H,9H2,1-2H3
InChIKeyPHGIIQUKFQJSAK-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
2-(2,6-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115792574
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
2-(2-chloro-6-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 65238914
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone (CID 43337883) is 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)Cc2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is PHGIIQUKFQJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-6-7-12(11(2)8-10)16(19)9-13-14(17)4-3-5-15(13)18/h3-8H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 276.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 43337883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).