2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone

C15H11Cl2FO — CID 63409531

IUPAC2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO/c1-9-2-4-11(18)8-12(9)15(19)7-10-3-5-13(16)14(17)6-10/h2-6,8H,7H2,1H3
InChIKeyVXJWKLNVZJSJMQ-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.87
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone

2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 63409531) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID63409531
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO/c1-9-2-4-11(18)8-12(9)15(19)7-10-3-5-13(16)14(17)6-10/h2-6,8H,7H2,1H3
InChIKeyVXJWKLNVZJSJMQ-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(5-fluoro-2-methylphenyl)-2-(4-iodophenyl)ethanone
CID 65477472
2-(2,6-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 55187917
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
1-(3-chloro-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 63194906
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone (CID 63409531) is 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is VXJWKLNVZJSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-9-2-4-11(18)8-12(9)15(19)7-10-3-5-13(16)14(17)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone?
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 297.16 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 63409531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).