3-(4-bromo-2-fluorophenyl)cyclobutan-1-one

C10H8BrFO — CID 82974023

IUPAC3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
SMILESO=C1CC(c2ccc(Br)cc2F)C1
InChIInChI=1S/C10H8BrFO/c11-7-1-2-9(10(12)5-7)6-3-8(13)4-6/h1-2,5-6H,3-4H2
InChIKeyJPGAWUMXWGBPJV-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.03
Rot. Bonds1

About 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one

3-(4-bromo-2-fluorophenyl)cyclobutan-1-one (PubChem CID 82974023) has the molecular formula C10H8BrFO and a molecular weight of 243.07 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
PubChem CID82974023
Molecular FormulaC10H8BrFO
Molecular Weight243.07 g/mol
Exact Mass241.97
IUPAC Name3-(4-bromo-2-fluorophenyl)cyclobutan-1-one
SMILESO=C1CC(c2ccc(Br)cc2F)C1
InChIInChI=1S/C10H8BrFO/c11-7-1-2-9(10(12)5-7)6-3-8(13)4-6/h1-2,5-6H,3-4H2
InChIKeyJPGAWUMXWGBPJV-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(2-fluorophenyl)cyclobutan-1-one
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[2-(4-bromo-2-fluorophenyl)cyclopropyl]-(2,6-difluorophenyl)methanone
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(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
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3-(4-bromophenyl)cyclobutan-1-one;ethane
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(4S)-4-(4-bromo-2-fluorophenyl)-5,5-difluoro-1,3-oxazinan-2-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one (CID 82974023) is 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one is O=C1CC(c2ccc(Br)cc2F)C1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one?
The InChIKey is JPGAWUMXWGBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO/c11-7-1-2-9(10(12)5-7)6-3-8(13)4-6/h1-2,5-6H,3-4H2.
What are the key properties of 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one?
3-(4-bromo-2-fluorophenyl)cyclobutan-1-one has a molecular weight of 243.07 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)cyclobutan-1-one is sourced from PubChem (CID 82974023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).