2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone

C11H10BrFO — CID 62622639

IUPAC2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H10BrFO/c12-9-3-4-10(13)8(5-9)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyLLGZXIJVCIUFGS-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.11
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone

2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone (PubChem CID 62622639) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
PubChem CID62622639
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C11H10BrFO/c12-9-3-4-10(13)8(5-9)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyLLGZXIJVCIUFGS-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
2-(5-bromo-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423697
1-[4-(aminomethyl)cyclohexyl]-2-(5-bromo-2-fluorophenyl)ethanone
CID 116592532
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093
2-(5-bromo-2-fluorophenyl)-1-(3-ethylcyclohexyl)ethanone
CID 65402932
1-[4-(aminomethyl)cyclohexyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116592499
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
4-[(5-bromo-2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116927260
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
3-(5-bromo-2-fluorophenyl)-1,1-dicyclopropylpropan-2-one
CID 112743598
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dicyclopropyl-N-methylprop-2-enamide
CID 75404400

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone (CID 62622639) is 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone is O=C(Cc1cc(Br)ccc1F)C1CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone?
The InChIKey is LLGZXIJVCIUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO/c12-9-3-4-10(13)8(5-9)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone?
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone has a molecular weight of 257.10 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 62622639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).