2-bromo-1-(3-chloro-5-fluorophenyl)ethanone

C8H5BrClFO — CID 86639184

IUPAC2-bromo-1-(3-chloro-5-fluorophenyl)ethanone
SMILESO=C(CBr)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H5BrClFO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2
InChIKeyOEIYPBJKDHAJNU-UHFFFAOYSA-N
MW251.48 g/mol
LogP3.06
Rot. Bonds2

About 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone

2-bromo-1-(3-chloro-5-fluorophenyl)ethanone (PubChem CID 86639184) has the molecular formula C8H5BrClFO and a molecular weight of 251.48 g/mol. Its IUPAC name is 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(3-chloro-5-fluorophenyl)ethanone
PubChem CID86639184
Molecular FormulaC8H5BrClFO
Molecular Weight251.48 g/mol
Exact Mass249.92
IUPAC Name2-bromo-1-(3-chloro-5-fluorophenyl)ethanone
SMILESO=C(CBr)c1cc(F)cc(Cl)c1
InChIInChI=1S/C8H5BrClFO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2
InChIKeyOEIYPBJKDHAJNU-UHFFFAOYSA-N
XLogP3.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.48
LogP ≤ 53.06
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

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2-bromo-1-(2-chloro-4,6-difluorophenyl)ethanone
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CID 134625308
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone?
The IUPAC name of 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone (CID 86639184) is 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone?
The canonical SMILES for 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone is O=C(CBr)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone?
The InChIKey is OEIYPBJKDHAJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO/c9-4-8(12)5-1-6(10)3-7(11)2-5/h1-3H,4H2.
What are the key properties of 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone?
2-bromo-1-(3-chloro-5-fluorophenyl)ethanone has a molecular weight of 251.48 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-chloro-5-fluorophenyl)ethanone is sourced from PubChem (CID 86639184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).