2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone

C14H9Cl2FO — CID 114853604

IUPAC2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2FO/c15-11-4-1-9(2-5-11)14(18)7-10-3-6-12(16)8-13(10)17/h1-6,8H,7H2
InChIKeyYLDPPNIJYIAISF-UHFFFAOYSA-N
MW283.13 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone (PubChem CID 114853604) has the molecular formula C14H9Cl2FO and a molecular weight of 283.13 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
PubChem CID114853604
Molecular FormulaC14H9Cl2FO
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl2FO/c15-11-4-1-9(2-5-11)14(18)7-10-3-6-12(16)8-13(10)17/h1-6,8H,7H2
InChIKeyYLDPPNIJYIAISF-UHFFFAOYSA-N
XLogP4.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 102617587
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
1-[4-(2-aminoethyl)phenyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052370
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone (CID 114853604) is 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone?
The InChIKey is YLDPPNIJYIAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO/c15-11-4-1-9(2-5-11)14(18)7-10-3-6-12(16)8-13(10)17/h1-6,8H,7H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone has a molecular weight of 283.13 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 114853604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).