2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone

C14H8ClF3O — CID 103301488

IUPAC2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7H,5H2
InChIKeyOWTOMJFQADEXMH-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.18
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone

2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone (PubChem CID 103301488) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
PubChem CID103301488
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7H,5H2
InChIKeyOWTOMJFQADEXMH-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)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-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-chlorophenyl)ethanone
CID 43340567
2-(3-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 107967879
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
2-(4-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60798390
4-chloro-3-[2-(4-chlorophenyl)acetyl]benzamide
CID 157465284

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone (CID 103301488) is 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone?
The InChIKey is OWTOMJFQADEXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-9-3-1-8(2-4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7H,5H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone?
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone has a molecular weight of 284.66 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 103301488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).