2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone

C11H10BrClO — CID 15289936

IUPAC2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone
SMILESO=C(C1CC1)C(Br)c1ccccc1Cl
InChIInChI=1S/C11H10BrClO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
InChIKeyZVZCYCKUECKOLH-UHFFFAOYSA-N
MW273.56 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone

2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone (PubChem CID 15289936) has the molecular formula C11H10BrClO and a molecular weight of 273.56 g/mol. Its IUPAC name is 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone
PubChem CID15289936
Molecular FormulaC11H10BrClO
Molecular Weight273.56 g/mol
Exact Mass271.96
IUPAC Name2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone
SMILESO=C(C1CC1)C(Br)c1ccccc1Cl
InChIInChI=1S/C11H10BrClO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
InChIKeyZVZCYCKUECKOLH-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 53.76
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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CID 105442385
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CID 156730163
2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
CID 22119015
ethyl 3-bromo-3-(2-chlorophenyl)-2-oxopropanoate
CID 22437394
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
CID 172741718
2-bromo-1-cyclobutyl-2-(2-cyclohexyl-3-methylphenyl)ethanone
CID 176947394
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-bromo-3-(2-chloro-4-fluorophenyl)-1-cyclopropylpropan-1-one
CID 62394988
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone (CID 15289936) is 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone is O=C(C1CC1)C(Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone?
The InChIKey is ZVZCYCKUECKOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2.
What are the key properties of 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone?
2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone has a molecular weight of 273.56 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-chlorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 15289936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).