1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone

C14H8BrCl2FO — CID 81467093

IUPAC1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrCl2FO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2
InChIKeyNJPPMZAMZNMSTR-UHFFFAOYSA-N
MW362.03 g/mol
LogP5.32
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone

1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 81467093) has the molecular formula C14H8BrCl2FO and a molecular weight of 362.03 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID81467093
Molecular FormulaC14H8BrCl2FO
Molecular Weight362.03 g/mol
Exact Mass359.91
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H8BrCl2FO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2
InChIKeyNJPPMZAMZNMSTR-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-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-4-fluorophenyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102617798
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
CID 2782783
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
CID 82122677
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(2-bromo-4-chlorophenyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 114025529

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone (CID 81467093) is 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is NJPPMZAMZNMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FO/c15-11-5-9(2-4-13(11)18)14(19)6-8-1-3-10(16)7-12(8)17/h1-5,7H,6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone?
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)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-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 81467093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).