1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one

C15H11Br2FO — CID 63410152

IUPAC1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1F)Cc1ccccc1Br
InChIInChI=1S/C15H11Br2FO/c16-12-6-5-11(15(18)9-12)8-13(19)7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2
InChIKeyLVCMUKKWGWXMHK-UHFFFAOYSA-N
MW386.06 g/mol
LogP4.70
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one (PubChem CID 63410152) has the molecular formula C15H11Br2FO and a molecular weight of 386.06 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
PubChem CID63410152
Molecular FormulaC15H11Br2FO
Molecular Weight386.06 g/mol
Exact Mass383.92
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
SMILESO=C(Cc1ccc(Br)cc1F)Cc1ccccc1Br
InChIInChI=1S/C15H11Br2FO/c16-12-6-5-11(15(18)9-12)8-13(19)7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2
InChIKeyLVCMUKKWGWXMHK-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.06
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-one
CID 63410407
4-amino-1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-one
CID 116553131
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
1-(4-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114968486
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-(4-bromo-2-fluorophenyl)-4-(methylamino)butan-2-one
CID 116561217
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid
CID 79438919

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one (CID 63410152) is 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one is O=C(Cc1ccc(Br)cc1F)Cc1ccccc1Br.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one?
The InChIKey is LVCMUKKWGWXMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO/c16-12-6-5-11(15(18)9-12)8-13(19)7-10-3-1-2-4-14(10)17/h1-6,9H,7-8H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one?
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one has a molecular weight of 386.06 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one is sourced from PubChem (CID 63410152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).