2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C15H9Cl2F3O — CID 63411541

IUPAC2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8H,7H2
InChIKeyBZZBYAZTAPIBKJ-UHFFFAOYSA-N
MW333.14 g/mol
LogP5.44
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 63411541) has the molecular formula C15H9Cl2F3O and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID63411541
Molecular FormulaC15H9Cl2F3O
Molecular Weight333.14 g/mol
Exact Mass332.00
IUPAC Name2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9Cl2F3O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8H,7H2
InChIKeyBZZBYAZTAPIBKJ-UHFFFAOYSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.14
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2459819
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 63411438
N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 44957660
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 106865778

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 63411541) is 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BZZBYAZTAPIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3O/c16-12-5-4-9(13(17)8-12)7-14(21)10-2-1-3-11(6-10)15(18,19)20/h1-6,8H,7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 333.14 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 63411541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).