1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one

C15H10BrCl2FO — CID 63409854

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H10BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8H,5,7H2
InChIKeyOWFOSZDIBGFFTK-UHFFFAOYSA-N
MW376.05 g/mol
LogP5.25
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 63409854) has the molecular formula C15H10BrCl2FO and a molecular weight of 376.05 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID63409854
Molecular FormulaC15H10BrCl2FO
Molecular Weight376.05 g/mol
Exact Mass373.93
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H10BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8H,5,7H2
InChIKeyOWFOSZDIBGFFTK-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.05
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-[2-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)propan-2-one
CID 116595878
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-bromo-4-fluorophenyl)-4-methylhexan-2-one
CID 114967996

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (CID 63409854) is 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is OWFOSZDIBGFFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FO/c16-13-8-11(19)3-2-10(13)7-12(20)5-9-1-4-14(17)15(18)6-9/h1-4,6,8H,5,7H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 376.05 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 63409854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).