1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone

C14H9Cl2FO — CID 82782556

IUPAC1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H9Cl2FO/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyOPVMSPJOAZSLGY-UHFFFAOYSA-N
MW283.13 g/mol
LogP5.00
Rot. Bonds2

About 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone

1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone (PubChem CID 82782556) has the molecular formula C14H9Cl2FO and a molecular weight of 283.13 g/mol. Its IUPAC name is 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
PubChem CID82782556
Molecular FormulaC14H9Cl2FO
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H9Cl2FO/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3
InChIKeyOPVMSPJOAZSLGY-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.13
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(2,4-dichlorophenyl)phenyl]ethanone
CID 82783018
1-[2-chloro-4-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 82769801
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
2-chloro-4-(2,4-difluorophenyl)benzoate
CID 86307272
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099
1-[2-chloro-4-(2,3-dimethylphenyl)phenyl]ethanone
CID 82769802
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone (CID 82782556) is 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Cl)cc2F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone?
The InChIKey is OPVMSPJOAZSLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO/c1-8(18)11-4-2-9(6-13(11)16)12-5-3-10(15)7-14(12)17/h2-7H,1H3.
What are the key properties of 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone?
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone has a molecular weight of 283.13 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone is sourced from PubChem (CID 82782556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).