1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone

C11H10BrFO — CID 43364567

IUPAC1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFO/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,9-10H,5H2,1H3
InChIKeyKNDYUKZBVLJVFY-UHFFFAOYSA-N
MW257.10 g/mol
LogP3.28
Rot. Bonds2

About 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone

1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone (PubChem CID 43364567) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
PubChem CID43364567
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1CC1c1ccc(Br)cc1F
InChIInChI=1S/C11H10BrFO/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,9-10H,5H2,1H3
InChIKeyKNDYUKZBVLJVFY-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
CID 58664416
1-[2-(5-bromo-2-methoxyphenyl)cyclopropyl]ethanone
CID 43141135
1-[2-(2-fluoro-3-methylphenyl)cyclopropyl]ethanone
CID 130847822
(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
CID 70306555
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 67289393
2-(2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 158316657
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
3-(4-bromo-2-fluorophenyl)-2,2-dimethylcyclobutan-1-one
CID 82972772
2-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 116962934
3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
CID 82974023
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
trans-(1R,2R)-2-(5-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 93299464

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone (CID 43364567) is 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone is CC(=O)C1CC1c1ccc(Br)cc1F.
What is the InChIKey of 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone?
The InChIKey is KNDYUKZBVLJVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,9-10H,5H2,1H3.
What are the key properties of 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone?
1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone has a molecular weight of 257.10 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 43364567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).