2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone

C16H13Cl2FO — CID 106880750

IUPAC2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C16H13Cl2FO/c1-9-5-10(2)16(14(19)6-9)15(20)8-11-3-4-12(17)13(18)7-11/h3-7H,8H2,1-2H3
InChIKeyOCAUJKBWRSARAA-UHFFFAOYSA-N
MW311.18 g/mol
LogP5.17
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone

2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone (PubChem CID 106880750) has the molecular formula C16H13Cl2FO and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
PubChem CID106880750
Molecular FormulaC16H13Cl2FO
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C16H13Cl2FO/c1-9-5-10(2)16(14(19)6-9)15(20)8-11-3-4-12(17)13(18)7-11/h3-7H,8H2,1-2H3
InChIKeyOCAUJKBWRSARAA-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.18
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880766
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanone
CID 106880740
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone (CID 106880750) is 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
The InChIKey is OCAUJKBWRSARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO/c1-9-5-10(2)16(14(19)6-9)15(20)8-11-3-4-12(17)13(18)7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone?
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone has a molecular weight of 311.18 g/mol, XLogP of 5.17, 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-(2-fluoro-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106880750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).