1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one

C15H11BrClFO — CID 62621399

IUPAC1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H11BrClFO/c16-14-6-5-12(18)7-11(14)9-13(19)8-10-3-1-2-4-15(10)17/h1-7H,8-9H2
InChIKeyAVXGZEKKMWSWSU-UHFFFAOYSA-N
MW341.61 g/mol
LogP4.60
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one

1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one (PubChem CID 62621399) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
PubChem CID62621399
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H11BrClFO/c16-14-6-5-12(18)7-11(14)9-13(19)8-10-3-1-2-4-15(10)17/h1-7H,8-9H2
InChIKeyAVXGZEKKMWSWSU-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 102617799
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62620100
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)propan-2-one
CID 102617725
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
CID 123134509

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one (CID 62621399) is 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one is O=C(Cc1ccccc1Cl)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one?
The InChIKey is AVXGZEKKMWSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c16-14-6-5-12(18)7-11(14)9-13(19)8-10-3-1-2-4-15(10)17/h1-7H,8-9H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one?
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one has a molecular weight of 341.61 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one is sourced from PubChem (CID 62621399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).