2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone

C14H8BrCl2FO — CID 115801799

IUPAC2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C14H8BrCl2FO/c15-9-5-4-8(11(16)7-9)6-13(19)10-2-1-3-12(18)14(10)17/h1-5,7H,6H2
InChIKeyQBWIQVKSNQYHLI-UHFFFAOYSA-N
MW362.03 g/mol
LogP5.32
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone

2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone (PubChem CID 115801799) has the molecular formula C14H8BrCl2FO and a molecular weight of 362.03 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
PubChem CID115801799
Molecular FormulaC14H8BrCl2FO
Molecular Weight362.03 g/mol
Exact Mass359.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C14H8BrCl2FO/c15-9-5-4-8(11(16)7-9)6-13(19)10-2-1-3-12(18)14(10)17/h1-5,7H,6H2
InChIKeyQBWIQVKSNQYHLI-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.03
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
2-(4-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968448
1-(2-chloro-3-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812505
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-(2-chloro-3-fluorophenyl)-2-(2-methoxyphenyl)ethanone
CID 81453841

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone (CID 115801799) is 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone is O=C(Cc1ccc(Br)cc1Cl)c1cccc(F)c1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone?
The InChIKey is QBWIQVKSNQYHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FO/c15-9-5-4-8(11(16)7-9)6-13(19)10-2-1-3-12(18)14(10)17/h1-5,7H,6H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone?
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone has a molecular weight of 362.03 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone is sourced from PubChem (CID 115801799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).