1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone

C15H10ClF3O — CID 81046039

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(F)cccc2F)c(Cl)cc1F
InChIInChI=1S/C15H10ClF3O/c1-8-5-9(11(16)7-14(8)19)15(20)6-10-12(17)3-2-4-13(10)18/h2-5,7H,6H2,1H3
InChIKeyIGNJUUGUNFMUMY-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.49
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone (PubChem CID 81046039) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
PubChem CID81046039
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
SMILESCc1cc(C(=O)Cc2c(F)cccc2F)c(Cl)cc1F
InChIInChI=1S/C15H10ClF3O/c1-8-5-9(11(16)7-14(8)19)15(20)6-10-12(17)3-2-4-13(10)18/h2-5,7H,6H2,1H3
InChIKeyIGNJUUGUNFMUMY-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 81045569
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81045109
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(2-chloro-5-fluoro-4-methylphenyl)-2-pyrimidin-2-ylethanone
CID 116833116
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 800932

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone (CID 81046039) is 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone is Cc1cc(C(=O)Cc2c(F)cccc2F)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone?
The InChIKey is IGNJUUGUNFMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c1-8-5-9(11(16)7-14(8)19)15(20)6-10-12(17)3-2-4-13(10)18/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone?
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone has a molecular weight of 298.69 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 81046039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).