1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one

C9H7BrClFO — CID 118843600

IUPAC1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
SMILESO=C(CCl)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrClFO/c10-9-2-1-7(12)3-6(9)4-8(13)5-11/h1-3H,4-5H2
InChIKeyCCFKIMSWGDLLQM-UHFFFAOYSA-N
MW265.51 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one

1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one (PubChem CID 118843600) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
PubChem CID118843600
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
SMILESO=C(CCl)Cc1cc(F)ccc1Br
InChIInChI=1S/C9H7BrClFO/c10-9-2-1-7(12)3-6(9)4-8(13)5-11/h1-3H,4-5H2
InChIKeyCCFKIMSWGDLLQM-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2-bromo-5-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 62621399
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
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CID 116556409
1-(2-amino-4-fluorophenyl)-3-chloropropan-2-one
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1-(2-bromo-5-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63410030
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105090125
1-(2-bromo-4-fluorophenyl)-2-(2-bromo-5-fluorophenyl)ethanone
CID 114968179
1-(2-bromo-5-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62620100
1-(azetidin-3-yl)-3-(2-bromo-5-fluorophenyl)propan-2-one
CID 116582254
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one (CID 118843600) is 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one is O=C(CCl)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one?
The InChIKey is CCFKIMSWGDLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-9-2-1-7(12)3-6(9)4-8(13)5-11/h1-3H,4-5H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one?
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one has a molecular weight of 265.51 g/mol, XLogP of 2.94, 3 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-chloropropan-2-one is sourced from PubChem (CID 118843600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).