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

C14H8BrCl2FO — CID 114025529

IUPAC1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrCl2FO/c15-12-6-9(16)2-4-11(12)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2
InChIKeySKRVDVSGZOCURZ-UHFFFAOYSA-N
MW362.03 g/mol
LogP5.32
Rot. Bonds3

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

1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 114025529) has the molecular formula C14H8BrCl2FO and a molecular weight of 362.03 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
PubChem CID114025529
Molecular FormulaC14H8BrCl2FO
Molecular Weight362.03 g/mol
Exact Mass359.91
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8BrCl2FO/c15-12-6-9(16)2-4-11(12)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2
InChIKeySKRVDVSGZOCURZ-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

2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2-chloro-4-fluorophenyl)-1-(2,5-dibromophenyl)ethanone
CID 114967277
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
2-(4-bromo-2-fluorophenyl)-1-(2-chloro-4-fluorophenyl)ethanone
CID 63410449
1-(2-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanone
CID 114024595
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
2-(2,5-dichlorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 65317205
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
1-(5-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 147242545
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone (CID 114025529) is 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is SKRVDVSGZOCURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FO/c15-12-6-9(16)2-4-11(12)14(19)5-8-1-3-10(18)7-13(8)17/h1-4,6-7H,5H2.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone?
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-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 1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 114025529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).