2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone

C15H10Cl2F2O — CID 82814391

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C15H10Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6H,7H2,1H3
InChIKeyMLKQYTCWLBPXOY-UHFFFAOYSA-N
MW315.15 g/mol
LogP5.01
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone

2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone (PubChem CID 82814391) has the molecular formula C15H10Cl2F2O and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
PubChem CID82814391
Molecular FormulaC15H10Cl2F2O
Molecular Weight315.15 g/mol
Exact Mass314.01
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c1F
InChIInChI=1S/C15H10Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6H,7H2,1H3
InChIKeyMLKQYTCWLBPXOY-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.15
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82815251
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone (CID 82814391) is 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)Cc2ccc(Cl)c(Cl)c2)c1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The InChIKey is MLKQYTCWLBPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2O/c1-8-2-5-12(18)14(15(8)19)13(20)7-9-3-4-10(16)11(17)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone has a molecular weight of 315.15 g/mol, XLogP of 5.01, 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-(2,6-difluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 82814391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).