2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone

C14H8Cl3FO — CID 82802165

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl3FO/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6H,7H2
InChIKeyCLXBSDRLXYNBPJ-UHFFFAOYSA-N
MW317.57 g/mol
LogP5.21
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone (PubChem CID 82802165) has the molecular formula C14H8Cl3FO and a molecular weight of 317.57 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
PubChem CID82802165
Molecular FormulaC14H8Cl3FO
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl3FO/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6H,7H2
InChIKeyCLXBSDRLXYNBPJ-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029999
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 107890555
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone (CID 82802165) is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone?
The InChIKey is CLXBSDRLXYNBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FO/c15-10-5-2-4-9(13(10)17)12(19)7-8-3-1-6-11(16)14(8)18/h1-6H,7H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone has a molecular weight of 317.57 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone is sourced from PubChem (CID 82802165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).