[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate

C16H9Cl2F3O3 — CID 2459819

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9Cl2F3O3/c17-11-4-5-12(13(18)7-11)14(22)8-24-15(23)9-2-1-3-10(6-9)16(19,20)21/h1-7H,8H2
InChIKeyQYZXTSIAZGNPCW-UHFFFAOYSA-N
MW377.15 g/mol
LogP5.05
Rot. Bonds4

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate (PubChem CID 2459819) has the molecular formula C16H9Cl2F3O3 and a molecular weight of 377.15 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
PubChem CID2459819
Molecular FormulaC16H9Cl2F3O3
Molecular Weight377.15 g/mol
Exact Mass375.99
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9Cl2F3O3/c17-11-4-5-12(13(18)7-11)14(22)8-24-15(23)9-2-1-3-10(6-9)16(19,20)21/h1-7H,8H2
InChIKeyQYZXTSIAZGNPCW-UHFFFAOYSA-N
XLogP5.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.15
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-nitrobenzoate
CID 7769380
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 42003002
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-iodobenzoate
CID 1337088
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
[2-(3-chlorophenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2382911
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504414
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-bromo-3-nitrobenzoate
CID 1338643
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 27789181

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate (CID 2459819) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate is O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
The InChIKey is QYZXTSIAZGNPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3O3/c17-11-4-5-12(13(18)7-11)14(22)8-24-15(23)9-2-1-3-10(6-9)16(19,20)21/h1-7H,8H2.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate has a molecular weight of 377.15 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 2459819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).