1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone

C11H10BrFO — CID 142789341

IUPAC1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)C1CC1Br
InChIInChI=1S/C11H10BrFO/c12-9-6-8(9)11(14)5-7-3-1-2-4-10(7)13/h1-4,8-9H,5-6H2
InChIKeyLWXJTZQVHNGOFP-UHFFFAOYSA-N
MW257.10 g/mol
LogP2.72
Rot. Bonds3

About 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone

1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone (PubChem CID 142789341) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
PubChem CID142789341
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)C1CC1Br
InChIInChI=1S/C11H10BrFO/c12-9-6-8(9)11(14)5-7-3-1-2-4-10(7)13/h1-4,8-9H,5-6H2
InChIKeyLWXJTZQVHNGOFP-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-(2-fluorocyclopropyl)-2-(2-fluorophenyl)ethanone
CID 19919493
1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
CID 63862356
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-fluorophenyl)-1-(oxolan-2-yl)ethanone
CID 61080279
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 59028253
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 67047291
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone (CID 142789341) is 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)C1CC1Br.
What is the InChIKey of 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is LWXJTZQVHNGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO/c12-9-6-8(9)11(14)5-7-3-1-2-4-10(7)13/h1-4,8-9H,5-6H2.
What are the key properties of 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone?
1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 257.10 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopropyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 142789341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).