1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone

C14H8ClF3O — CID 63093654

IUPAC1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H8ClF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6H,7H2
InChIKeyOMLURWOCWNBOMC-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.18
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone

1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 63093654) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID63093654
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H8ClF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6H,7H2
InChIKeyOMLURWOCWNBOMC-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

Analyze 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)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

1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
1-[4-(2-aminoethyl)phenyl]-2-(2,3-difluorophenyl)ethanone
CID 116577788
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone (CID 63093654) is 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone is O=C(Cc1cccc(F)c1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is OMLURWOCWNBOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-10-6-8(4-5-11(10)16)13(19)7-9-2-1-3-12(17)14(9)18/h1-6H,7H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone?
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)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 1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 63093654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).